2-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo
2-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo structure
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Common Name | 2-Quinazolinecarboxylicacid, 3,4-dihydro-4-oxo | ||
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| CAS Number | 29113-34-6 | Molecular Weight | 190.15600 | |
| Density | 1.56g/cm3 | Boiling Point | 427.6ºC at 760 mmHg | |
| Molecular Formula | C9H6N2O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 212.4ºC | |
Summary: 4-oxo-1H-quinazoline-2-carboxylic acid (CAS: 29113-34-6) is a compound with molecular formula C9H6N2O3 and molecular weight 190.15600. Its PSA polar surface area is 83.05000 and LogP is 0.62130, with a boiling point of 427.6ºC. For research use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-oxo-1H-quinazoline-2-carboxylic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.56g/cm3 |
|---|---|
| Boiling Point | 427.6ºC at 760 mmHg |
| Molecular Formula | C9H6N2O3 |
| Molecular Weight | 190.15600 |
| Flash Point | 212.4ºC |
| Exact Mass | 190.03800 |
| PSA | 83.05000 |
| LogP | 0.62130 |
| Vapour Pressure | 4.5E-08mmHg at 25°C |
| Index of Refraction | 1.71 |
| InChIKey | KVXWXOHXKMKMTR-UHFFFAOYSA-N |
| SMILES | O=C(O)c1nc2ccccc2c(=O)[nH]1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~81%
2-Quinazolineca... CAS#:29113-34-6 |
| Literature: Usifoh Scientia Pharmaceutica, 2000 , vol. 68, # 3 p. 275 - 279 |
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~77%
2-Quinazolineca... CAS#:29113-34-6 |
| Literature: Wei, Haidong; Li, Tianbin; Zhou, Yue; Zhou, Lihong; Zeng, Qingle Synthesis (Germany), 2013 , vol. 45, # 24 art. no. SS-2013-F0579-OP, p. 3349 - 3354 |
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~%
2-Quinazolineca... CAS#:29113-34-6 |
| Literature: Usifoh Scientia Pharmaceutica, 2000 , vol. 68, # 3 p. 275 - 279 |
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~%
2-Quinazolineca... CAS#:29113-34-6 |
| Literature: Reissert; Grube Chemische Berichte, 1909 , vol. 42, p. 3712 |
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~%
2-Quinazolineca... CAS#:29113-34-6 |
| Literature: Griess Chemische Berichte, 1885 , vol. 18, p. 2420 |
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~%
2-Quinazolineca... CAS#:29113-34-6 |
| Literature: Reissert; Grube Chemische Berichte, 1909 , vol. 42, p. 3712 |
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~%
2-Quinazolineca... CAS#:29113-34-6 |
| Literature: Reissert; Grube Chemische Berichte, 1909 , vol. 42, p. 3712 |
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~%
2-Quinazolineca... CAS#:29113-34-6 |
| Literature: Reissert; Grube Chemische Berichte, 1909 , vol. 42, p. 3712 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
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| DownStream 3 | |
CAS#:491-36-1
CAS#:13220-57-0
CAS#:2436-66-0This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Antiallergic activity in Wistar Charles River rat assessed as inhibition of histamine...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL3231826
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Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
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Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-Quinazolone-2-carboxylic Acid |
| 4-oxo-3,4-dihydroquinazoline-2-carboxylic acid |
| 3,4-dihydro-4-oxoquinazoline-2-carboxylic acid |
| 4-Oxo-3,4-dihydro-chinazolin-2-carbonsaeure |
| Chinazol-4-on-2-carbonsaeure |
| quinazolone-2-carboxylic acid |
| 4-Quinazolone-2-carboxylic Acid |
| 4-Chinazolon-2-carbonsaeure |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 4-oxo-1H-quinazoline-2-carboxylic acid? |
| A: LogP of 4-oxo-1H-quinazoline-2-carboxylic acid is 0.62130. |
| Q: What is the InChIKey of 4-oxo-1H-quinazoline-2-carboxylic acid? |
| A: InChIKey of 4-oxo-1H-quinazoline-2-carboxylic acid is KVXWXOHXKMKMTR-UHFFFAOYSA-N. |
| Q: What English synonyms does 4-oxo-1H-quinazoline-2-carboxylic acid have? |
| A: English synonyms of 4-oxo-1H-quinazoline-2-carboxylic acid: 4-Quinazolone-2-carboxylic Acid, 4-oxo-3,4-dihydroquinazoline-2-carboxylic acid, 3,4-dihydro-4-oxoquinazoline-2-carboxylic acid, 4-Oxo-3,4-dihydro-chinazolin-2-carbonsaeure, Chinazol-4-on-2-carbonsaeure, quinazolone-2-carboxylic acid, 4-Quinazolone-2-carboxylic Acid, 4-Chinazolon-2-carbonsaeure. |
| Q: What are the downstream products of 4-oxo-1H-quinazoline-2-carboxylic acid? |
| A: Related downstream products(CAS) of 4-oxo-1H-quinazoline-2-carboxylic acid: 491-36-1;13220-57-0;2436-66-0. |
| Q: What is the English name of 4-oxo-1H-quinazoline-2-carboxylic acid? |
| A: The English name of 4-oxo-1H-quinazoline-2-carboxylic acid is 4-oxo-1H-quinazoline-2-carboxylic acid. |
| Q: What is the molecular formula of 4-oxo-1H-quinazoline-2-carboxylic acid? |
| A: Molecular formula of 4-oxo-1H-quinazoline-2-carboxylic acid is C9H6N2O3. |
| Q: What are the upstream materials of 4-oxo-1H-quinazoline-2-carboxylic acid? |
| A: Related upstream materials(CAS) of 4-oxo-1H-quinazoline-2-carboxylic acid: 29113-33-5;105-36-2;28144-70-9;612-24-8;853029-98-8;61068-77-7;861071-21-8;1885-29-6. |
| Q: What is the CAS number of 4-oxo-1H-quinazoline-2-carboxylic acid? |
| A: CAS number of 4-oxo-1H-quinazoline-2-carboxylic acid is 29113-34-6. |
| Q: What is the polar surface area (PSA) of 4-oxo-1H-quinazoline-2-carboxylic acid? |
| A: Polar surface area (PSA) of 4-oxo-1H-quinazoline-2-carboxylic acid is 83.05000. |
| Q: What is the SMILES notation of 4-oxo-1H-quinazoline-2-carboxylic acid? |
| A: SMILES notation of 4-oxo-1H-quinazoline-2-carboxylic acid is O=C(O)c1nc2ccccc2c(=O)[nH]1. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |