5-Methyl-3,4-dihydro-1(2H)-isoquinolinone

Modify Date: 2026-09-13 19:14:07

5-Methyl-3,4-dihydro-1(2H)-isoquinolinone Structure
5-Methyl-3,4-dihydro-1(2H)-isoquinolinone structure
Common Name 5-Methyl-3,4-dihydro-1(2H)-isoquinolinone
CAS Number 129075-56-5 Molecular Weight 161.200
Density 1.1±0.1 g/cm3 Boiling Point 413.8±45.0 °C at 760 mmHg
Molecular Formula C10H11NO Melting Point N/A
MSDS N/A Flash Point 243.5±13.7 °C

 Names

Name 5-Methyl-3,4-dihydroisoquinolin-1(2H)-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 413.8±45.0 °C at 760 mmHg
Molecular Formula C10H11NO
Molecular Weight 161.200
Flash Point 243.5±13.7 °C
Exact Mass 161.084061
PSA 32.59000
LogP 1.25
Vapour Pressure 0.0±1.0 mmHg at 25°C
Index of Refraction 1.557
InChIKey RLLZPXDJYADIEU-UHFFFAOYSA-N
SMILES Cc1cccc2c1CCNC2=O

 Safety Information

Hazard Codes Xi
HS Code 2933790090

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2933790090
Summary 2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0%

 Bioassay

View more

Name: Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme
Source: ChEMBL
Target: Poly [ADP-ribose] polymerase 1
External Id: CHEMBL826331
Name: Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 m...
Source: ChEMBL
Target: Poly [ADP-ribose] polymerase 1
External Id: CHEMBL761792
Name: PARP-1 Enzyme Inhibition Assay from Article 10.1016/j.bmcl.2008.07.091: "Identificati...
Source: BindingDB
Target: N/A
External Id: BindingDB_3076_1
Name: Inhibition of PARP1 (unknown origin)
Source: ChEMBL
Target: Poly [ADP-ribose] polymerase 1
External Id: CHEMBL4481004
Name: Inhibition of PARP1 in human HeLa cells by fluid scintillation counting using [adenyl...
Source: ChEMBL
Target: Poly [ADP-ribose] polymerase 1
External Id: CHEMBL952237
Name: Inhibition of PARP1 (unknown origin)
Source: ChEMBL
Target: Poly [ADP-ribose] polymerase 1
External Id: CHEMBL5230807
Name: Selectivity ratio of IC50 for full length human His-SUMO-tagged PARP11 expressed in E...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4311838
Name: Inhibition of full length human His-SUMO-tagged PARP11 expressed in Escherichia coli ...
Source: ChEMBL
Target: Protein mono-ADP-ribosyltransferase PARP11
External Id: CHEMBL4311837
Name: Inhibition of human PARP10 catalytic domain assessed as reduction in MARylation of Hi...
Source: ChEMBL
Target: Protein mono-ADP-ribosyltransferase PARP10
External Id: CHEMBL4311836
Name: poly(ADP-ribose)-polymerase (PARP) inhibition
Source: ChEMBL
Target: N/A
External Id: CHEMBL763794
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 Synonyms

5-methyl-3,4-dihydroisoquinolin-1(2H)-one
5-Methyl-3,4-dihydro-1(2H)-isoquinolinone
5-methyl-3,4-dihydro-2H-isoquinolin-1-one
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