2-(4-chlorophenyl)-N-cyclohexyl-N-methyl-1-oxoisoquinoline-4-carboxamide

C23H23ClN2O2 — CID 4142154

IUPAC2-(4-chlorophenyl)-N-cyclohexyl-N-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCN(C(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12)C1CCCCC1
InChIInChI=1S/C23H23ClN2O2/c1-25(17-7-3-2-4-8-17)22(27)21-15-26(18-13-11-16(24)12-14-18)23(28)20-10-6-5-9-19(20)21/h5-6,9-15,17H,2-4,7-8H2,1H3
InChIKeyFGMJZRCELXFIBS-UHFFFAOYSA-N
MW394.90 g/mol
LogP5.05
Rot. Bonds3

About 2-(4-chlorophenyl)-N-cyclohexyl-N-methyl-1-oxoisoquinoline-4-carboxamide

2-(4-chlorophenyl)-N-cyclohexyl-N-methyl-1-oxoisoquinoline-4-carboxamide (PubChem CID 4142154) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-cyclohexyl-N-methyl-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-cyclohexyl-N-methyl-1-oxoisoquinoline-4-carboxamide
PubChem CID4142154
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC Name2-(4-chlorophenyl)-N-cyclohexyl-N-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCN(C(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12)C1CCCCC1
InChIInChI=1S/C23H23ClN2O2/c1-25(17-7-3-2-4-8-17)22(27)21-15-26(18-13-11-16(24)12-14-18)23(28)20-10-6-5-9-19(20)21/h5-6,9-15,17H,2-4,7-8H2,1H3
InChIKeyFGMJZRCELXFIBS-UHFFFAOYSA-N
XLogP5.05
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.90
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-N-cyclohexyl-N-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-cyclohexyl-N-methyl-1-oxoisochromene-4-carboxamide
CID 15996026
1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 11474632
4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide
CID 112805278
2-amino-5-chloro-N-cyclohexyl-N-methylbenzamide
CID 16781756
5-chloro-N-cyclohexyl-2-iodo-N-methylbenzamide
CID 113222858
N-cycloheptyl-2-(3,4-dimethylphenyl)-1-oxoisoquinoline-4-carboxamide
CID 4571848
2-bromo-N-cycloheptyl-N-methylbenzamide
CID 43409214
2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 2302400
5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide
CID 115649144
2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide
CID 43409219
N-cyclohexyl-1-(5-fluoropyrimidin-2-yl)-N-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 69093739
N-cyclohexyl-N,5-dimethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 15995877

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-cyclohexyl-N-methyl-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-cyclohexyl-N-methyl-1-oxoisoquinoline-4-carboxamide (CID 4142154) is 2-(4-chlorophenyl)-N-cyclohexyl-N-methyl-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-cyclohexyl-N-methyl-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-cyclohexyl-N-methyl-1-oxoisoquinoline-4-carboxamide is CN(C(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12)C1CCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-cyclohexyl-N-methyl-1-oxoisoquinoline-4-carboxamide?
The InChIKey is FGMJZRCELXFIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c1-25(17-7-3-2-4-8-17)22(27)21-15-26(18-13-11-16(24)12-14-18)23(28)20-10-6-5-9-19(20)21/h5-6,9-15,17H,2-4,7-8H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-cyclohexyl-N-methyl-1-oxoisoquinoline-4-carboxamide?
2-(4-chlorophenyl)-N-cyclohexyl-N-methyl-1-oxoisoquinoline-4-carboxamide has a molecular weight of 394.90 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-cyclohexyl-N-methyl-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 4142154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).