N-(2-chloro-4-methylphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide

C25H24ClN3O2 — CID 46338473

IUPACN-(2-chloro-4-methylphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide
SMILESCc1ccc(NC(=O)c2c3c(nc4ccccc24)C(=O)N(C2CCCCC2)C3)c(Cl)c1
InChIInChI=1S/C25H24ClN3O2/c1-15-11-12-21(19(26)13-15)28-24(30)22-17-9-5-6-10-20(17)27-23-18(22)14-29(25(23)31)16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,28,30)
InChIKeySOKDIIZXQOSXHS-UHFFFAOYSA-N
MW433.94 g/mol
LogP5.74
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide

N-(2-chloro-4-methylphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide (PubChem CID 46338473) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide
PubChem CID46338473
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC NameN-(2-chloro-4-methylphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide
SMILESCc1ccc(NC(=O)c2c3c(nc4ccccc24)C(=O)N(C2CCCCC2)C3)c(Cl)c1
InChIInChI=1S/C25H24ClN3O2/c1-15-11-12-21(19(26)13-15)28-24(30)22-17-9-5-6-10-20(17)27-23-18(22)14-29(25(23)31)16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,28,30)
InChIKeySOKDIIZXQOSXHS-UHFFFAOYSA-N
XLogP5.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-chloro-4-methylphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-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-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide
CID 46338427
N-(5-chloro-2-methylphenyl)-2-cyclohexyl-N-methyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide
CID 46338464
2-cyclohexyl-9-(3-methylpiperidine-1-carbonyl)-1H-pyrrolo[3,4-b]quinolin-3-one
CID 46338440
2-cyclohexyl-N-[2-(dimethylamino)ethyl]-N-ethyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide
CID 50791828
2-cyclohexyl-3-oxo-N-[(1S)-1-thiophen-2-ylbutyl]-1H-pyrrolo[3,4-b]quinoline-9-carboxamide
CID 92749398
N-(2-chloro-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2347439
N-(2-chloro-4-methylphenyl)-1-oxoisochromene-4-carboxamide
CID 4183425
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 112785733
N-(2-chloro-4-methylphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 2572654
2-ethyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804826
N-(2-chloro-4-methylphenyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 17488109
N-(2-chloro-4-methylphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 8885866

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide (CID 46338473) is N-(2-chloro-4-methylphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide is Cc1ccc(NC(=O)c2c3c(nc4ccccc24)C(=O)N(C2CCCCC2)C3)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide?
The InChIKey is SOKDIIZXQOSXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c1-15-11-12-21(19(26)13-15)28-24(30)22-17-9-5-6-10-20(17)27-23-18(22)14-29(25(23)31)16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3,(H,28,30).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide?
N-(2-chloro-4-methylphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide has a molecular weight of 433.94 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide is sourced from PubChem (CID 46338473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).