N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide

C19H16ClFN2O4 — CID 22422502

IUPACN-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCOc1cc2c(C(=O)Nc3ccc(F)c(Cl)c3)cn(C)c(=O)c2cc1OC
InChIInChI=1S/C19H16ClFN2O4/c1-23-9-13(18(24)22-10-4-5-15(21)14(20)6-10)11-7-16(26-2)17(27-3)8-12(11)19(23)25/h4-9H,1-3H3,(H,22,24)
InChIKeyFSWVIDDGTWSDKU-UHFFFAOYSA-N
MW390.80 g/mol
LogP3.60
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide

N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide (PubChem CID 22422502) has the molecular formula C19H16ClFN2O4 and a molecular weight of 390.80 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
PubChem CID22422502
Molecular FormulaC19H16ClFN2O4
Molecular Weight390.80 g/mol
Exact Mass390.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCOc1cc2c(C(=O)Nc3ccc(F)c(Cl)c3)cn(C)c(=O)c2cc1OC
InChIInChI=1S/C19H16ClFN2O4/c1-23-9-13(18(24)22-10-4-5-15(21)14(20)6-10)11-7-16(26-2)17(27-3)8-12(11)19(23)25/h4-9H,1-3H3,(H,22,24)
InChIKeyFSWVIDDGTWSDKU-UHFFFAOYSA-N
XLogP3.60
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.80
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide
CID 22422729
N-(3-chloro-4-fluorophenyl)-2,4-dimethoxybenzamide
CID 4674672
N-(3-chloro-4-fluorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100713672
N-(3-chloro-4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162873
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide
CID 113212801
3-(3-chloro-4-fluorophenyl)-1-[(1R)-1-(6,7-difluoro-2-methyl-1-oxoisoquinolin-4-yl)ethyl]-1-methylurea
CID 150814722
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 885992
N-(3-fluoro-4-methylphenyl)-4-methoxy-1-methyl-6-oxopyridine-3-carboxamide
CID 91814006
2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide
CID 80504103

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide (CID 22422502) is N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide is COc1cc2c(C(=O)Nc3ccc(F)c(Cl)c3)cn(C)c(=O)c2cc1OC.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The InChIKey is FSWVIDDGTWSDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O4/c1-23-9-13(18(24)22-10-4-5-15(21)14(20)6-10)11-7-16(26-2)17(27-3)8-12(11)19(23)25/h4-9H,1-3H3,(H,22,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide has a molecular weight of 390.80 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 22422502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).