N-(2,3-dimethylcyclohexyl)-2-phenylquinoline-4-carboxamide

C24H26N2O — CID 5141902

IUPACN-(2,3-dimethylcyclohexyl)-2-phenylquinoline-4-carboxamide
SMILESCC1CCCC(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)C1C
InChIInChI=1S/C24H26N2O/c1-16-9-8-14-21(17(16)2)26-24(27)20-15-23(18-10-4-3-5-11-18)25-22-13-7-6-12-19(20)22/h3-7,10-13,15-17,21H,8-9,14H2,1-2H3,(H,26,27)
InChIKeyQGMSOOCFPRZUSI-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.46
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-2-phenylquinoline-4-carboxamide

N-(2,3-dimethylcyclohexyl)-2-phenylquinoline-4-carboxamide (PubChem CID 5141902) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-phenylquinoline-4-carboxamide
PubChem CID5141902
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-phenylquinoline-4-carboxamide
SMILESCC1CCCC(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)C1C
InChIInChI=1S/C24H26N2O/c1-16-9-8-14-21(17(16)2)26-24(27)20-15-23(18-10-4-3-5-11-18)25-22-13-7-6-12-19(20)22/h3-7,10-13,15-17,21H,8-9,14H2,1-2H3,(H,26,27)
InChIKeyQGMSOOCFPRZUSI-UHFFFAOYSA-N
XLogP5.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate
CID 98797330
N-(2,3-dimethylcyclohexyl)-2-(2-methylanilino)quinoline-4-carboxamide
CID 20854511
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
CID 92660908
N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide
CID 78767510
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 51695382
1-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-3-[(2-methylquinoline-4-carbonyl)amino]thiourea
CID 11946049
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
(2,6-dimethylpiperidin-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 4224556

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-phenylquinoline-4-carboxamide (CID 5141902) is N-(2,3-dimethylcyclohexyl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-phenylquinoline-4-carboxamide is CC1CCCC(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-phenylquinoline-4-carboxamide?
The InChIKey is QGMSOOCFPRZUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-16-9-8-14-21(17(16)2)26-24(27)20-15-23(18-10-4-3-5-11-18)25-22-13-7-6-12-19(20)22/h3-7,10-13,15-17,21H,8-9,14H2,1-2H3,(H,26,27).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-phenylquinoline-4-carboxamide?
N-(2,3-dimethylcyclohexyl)-2-phenylquinoline-4-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 5141902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).