(4-amino-7-fluorocinnolin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

Modify Date: 2025-09-17 19:11:38

(4-amino-7-fluorocinnolin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone Structure
(4-amino-7-fluorocinnolin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone structure
Common Name (4-amino-7-fluorocinnolin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CAS Number 187231-58-9 Molecular Weight 352.36600
Density 1.409g/cm3 Boiling Point 638.7ºC at 760 mmHg
Molecular Formula C18H17FN6O Melting Point N/A
MSDS N/A Flash Point 340.1ºC

 Names

Name (4-amino-7-fluorocinnolin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

 Chemical & Physical Properties

Density 1.409g/cm3
Boiling Point 638.7ºC at 760 mmHg
Molecular Formula C18H17FN6O
Molecular Weight 352.36600
Flash Point 340.1ºC
Exact Mass 352.14500
PSA 88.24000
LogP 2.29260
Vapour Pressure 3.26E-16mmHg at 25°C
Index of Refraction 1.694
InChIKey VIQGYQAPOQJLII-UHFFFAOYSA-N
SMILES Nc1c(C(=O)N2CCN(c3ccccn3)CC2)nnc2cc(F)ccc12

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TK8050833
CHEMICAL NAME :
Piperazine, 1-((4-amino-7-fluoro-3-cinnolinyl)carbonyl)-4-(2-pyri dinyl)-
CAS REGISTRY NUMBER :
187231-58-9
LAST UPDATED :
199803
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C18-H17-F-N6-O
MOLECULAR WEIGHT :
352.41

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1750 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 52,91,1997
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 52,91,1997
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