2-(4-chlorophenyl)sulfanyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide

C23H23ClN2OS — CID 22421377

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide
SMILESCC1CCCCC1NC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C23H23ClN2OS/c1-15-6-2-4-8-20(15)26-23(27)19-14-22(25-21-9-5-3-7-18(19)21)28-17-12-10-16(24)11-13-17/h3,5,7,9-15,20H,2,4,6,8H2,1H3,(H,26,27)
InChIKeyNZAANZXYLBIWKS-UHFFFAOYSA-N
MW410.97 g/mol
LogP6.35
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide

2-(4-chlorophenyl)sulfanyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide (PubChem CID 22421377) has the molecular formula C23H23ClN2OS and a molecular weight of 410.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide
PubChem CID22421377
Molecular FormulaC23H23ClN2OS
Molecular Weight410.97 g/mol
Exact Mass410.12
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide
SMILESCC1CCCCC1NC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C23H23ClN2OS/c1-15-6-2-4-8-20(15)26-23(27)19-14-22(25-21-9-5-3-7-18(19)21)28-17-12-10-16(24)11-13-17/h3,5,7,9-15,20H,2,4,6,8H2,1H3,(H,26,27)
InChIKeyNZAANZXYLBIWKS-UHFFFAOYSA-N
XLogP6.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.97
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]quinoline-4-carboxamide
CID 124772788
2-(4-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)quinoline-4-carboxamide
CID 22421378
N-[(1R,2S)-2-methylcyclohexyl]-2-[2-(trifluoromethyl)phenyl]sulfanylquinoline-4-carboxamide
CID 92696494
N-cyclopentyl-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide
CID 4185757
N-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide
CID 5216224
2-(4-chlorophenyl)sulfanyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 4182262
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 4182269
2-(4-chlorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylpropyl)quinoline-4-carboxamide
CID 4255716
N-(2,3-dimethylcyclohexyl)-2-phenylquinoline-4-carboxamide
CID 5141902
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide
CID 4176110
2-(2,4-dimethylanilino)-N-(2-methylcyclohexyl)quinoline-4-carboxamide
CID 20854538
2-(4-chlorophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]quinoline-4-carboxamide
CID 4182268

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide (CID 22421377) is 2-(4-chlorophenyl)sulfanyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide is CC1CCCCC1NC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide?
The InChIKey is NZAANZXYLBIWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2OS/c1-15-6-2-4-8-20(15)26-23(27)19-14-22(25-21-9-5-3-7-18(19)21)28-17-12-10-16(24)11-13-17/h3,5,7,9-15,20H,2,4,6,8H2,1H3,(H,26,27).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide?
2-(4-chlorophenyl)sulfanyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide has a molecular weight of 410.97 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide is sourced from PubChem (CID 22421377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).