2-(2,4-dimethylanilino)-N-(2-methylcyclohexyl)quinoline-4-carboxamide

C25H29N3O — CID 20854538

IUPAC2-(2,4-dimethylanilino)-N-(2-methylcyclohexyl)quinoline-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NC3CCCCC3C)c3ccccc3n2)c(C)c1
InChIInChI=1S/C25H29N3O/c1-16-12-13-22(18(3)14-16)26-24-15-20(19-9-5-7-11-23(19)27-24)25(29)28-21-10-6-4-8-17(21)2/h5,7,9,11-15,17,21H,4,6,8,10H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyFGTNXSLEEYKKJI-UHFFFAOYSA-N
MW387.53 g/mol
LogP5.90
Rot. Bonds4

About 2-(2,4-dimethylanilino)-N-(2-methylcyclohexyl)quinoline-4-carboxamide

2-(2,4-dimethylanilino)-N-(2-methylcyclohexyl)quinoline-4-carboxamide (PubChem CID 20854538) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N-(2-methylcyclohexyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N-(2-methylcyclohexyl)quinoline-4-carboxamide
PubChem CID20854538
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name2-(2,4-dimethylanilino)-N-(2-methylcyclohexyl)quinoline-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NC3CCCCC3C)c3ccccc3n2)c(C)c1
InChIInChI=1S/C25H29N3O/c1-16-12-13-22(18(3)14-16)26-24-15-20(19-9-5-7-11-23(19)27-24)25(29)28-21-10-6-4-8-17(21)2/h5,7,9,11-15,17,21H,4,6,8,10H2,1-3H3,(H,26,27)(H,28,29)
InChIKeyFGTNXSLEEYKKJI-UHFFFAOYSA-N
XLogP5.90
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 ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide
CID 20854533
N-(2,3-dimethylcyclohexyl)-2-(2-methylanilino)quinoline-4-carboxamide
CID 20854511
2-(2,4-dimethylanilino)quinoline-4-carboxylate
CID 4166548
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
CID 92660908
2-(2,4-dimethylanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
CID 15990880
2,6-dimethyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide
CID 3184547
N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide
CID 15990902
N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3667431
1-(2,4-dimethylphenyl)-3-(2-methylcyclohexyl)urea
CID 17265372
2-(4-chlorophenyl)sulfanyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide
CID 22421377
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N-(2-methylcyclohexyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylanilino)-N-(2-methylcyclohexyl)quinoline-4-carboxamide (CID 20854538) is 2-(2,4-dimethylanilino)-N-(2-methylcyclohexyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N-(2-methylcyclohexyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N-(2-methylcyclohexyl)quinoline-4-carboxamide is Cc1ccc(Nc2cc(C(=O)NC3CCCCC3C)c3ccccc3n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-N-(2-methylcyclohexyl)quinoline-4-carboxamide?
The InChIKey is FGTNXSLEEYKKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-16-12-13-22(18(3)14-16)26-24-15-20(19-9-5-7-11-23(19)27-24)25(29)28-21-10-6-4-8-17(21)2/h5,7,9,11-15,17,21H,4,6,8,10H2,1-3H3,(H,26,27)(H,28,29).
What are the key properties of 2-(2,4-dimethylanilino)-N-(2-methylcyclohexyl)quinoline-4-carboxamide?
2-(2,4-dimethylanilino)-N-(2-methylcyclohexyl)quinoline-4-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 5.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-N-(2-methylcyclohexyl)quinoline-4-carboxamide is sourced from PubChem (CID 20854538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).