N-(2,3-dimethylcyclohexyl)-2-(2-methylanilino)quinoline-4-carboxamide

C25H29N3O — CID 20854511

IUPACN-(2,3-dimethylcyclohexyl)-2-(2-methylanilino)quinoline-4-carboxamide
SMILESCc1ccccc1Nc1cc(C(=O)NC2CCCC(C)C2C)c2ccccc2n1
InChIInChI=1S/C25H29N3O/c1-16-10-8-14-22(18(16)3)28-25(29)20-15-24(26-21-12-6-4-9-17(21)2)27-23-13-7-5-11-19(20)23/h4-7,9,11-13,15-16,18,22H,8,10,14H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyWASBWUKJDGKKRI-UHFFFAOYSA-N
MW387.53 g/mol
LogP5.84
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-2-(2-methylanilino)quinoline-4-carboxamide

N-(2,3-dimethylcyclohexyl)-2-(2-methylanilino)quinoline-4-carboxamide (PubChem CID 20854511) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-(2-methylanilino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-(2-methylanilino)quinoline-4-carboxamide
PubChem CID20854511
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-(2-methylanilino)quinoline-4-carboxamide
SMILESCc1ccccc1Nc1cc(C(=O)NC2CCCC(C)C2C)c2ccccc2n1
InChIInChI=1S/C25H29N3O/c1-16-10-8-14-22(18(16)3)28-25(29)20-15-24(26-21-12-6-4-9-17(21)2)27-23-13-7-5-11-19(20)23/h4-7,9,11-13,15-16,18,22H,8,10,14H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyWASBWUKJDGKKRI-UHFFFAOYSA-N
XLogP5.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dimethylcyclohexyl)-2-(2-methylanilino)quinoline-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-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
CID 92660908
2-(2,4-dimethylanilino)-N-(2-methylcyclohexyl)quinoline-4-carboxamide
CID 20854538
2-(3,4-dimethoxyanilino)-N-(2,3-dimethylcyclohexyl)quinoline-4-carboxamide
CID 20854362
2-(3,4-dimethoxyanilino)-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]quinoline-4-carboxamide
CID 92660878
N-(2,3-dimethylcyclohexyl)-2-phenylquinoline-4-carboxamide
CID 5141902
N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide
CID 20854533
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 92695624
2-(4-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)quinoline-4-carboxamide
CID 22421378
2-(4-chlorophenyl)sulfanyl-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]quinoline-4-carboxamide
CID 124772788
1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-3-[(2-methylquinoline-4-carbonyl)amino]thiourea
CID 11946049
N-(2,3-dimethylcyclohexyl)-4-hydroxy-2-methylbenzamide
CID 103863506
N-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide
CID 80718134

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(2-methylanilino)quinoline-4-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(2-methylanilino)quinoline-4-carboxamide (CID 20854511) is N-(2,3-dimethylcyclohexyl)-2-(2-methylanilino)quinoline-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-(2-methylanilino)quinoline-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-(2-methylanilino)quinoline-4-carboxamide is Cc1ccccc1Nc1cc(C(=O)NC2CCCC(C)C2C)c2ccccc2n1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-(2-methylanilino)quinoline-4-carboxamide?
The InChIKey is WASBWUKJDGKKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-16-10-8-14-22(18(16)3)28-25(29)20-15-24(26-21-12-6-4-9-17(21)2)27-23-13-7-5-11-19(20)23/h4-7,9,11-13,15-16,18,22H,8,10,14H2,1-3H3,(H,26,27)(H,28,29).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-(2-methylanilino)quinoline-4-carboxamide?
N-(2,3-dimethylcyclohexyl)-2-(2-methylanilino)quinoline-4-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 5.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-(2-methylanilino)quinoline-4-carboxamide is sourced from PubChem (CID 20854511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).