2-(5-chlorothiophen-2-yl)-N,N-dicyclohexylquinoline-4-carboxamide

C26H29ClN2OS — CID 4610681

IUPAC2-(5-chlorothiophen-2-yl)-N,N-dicyclohexylquinoline-4-carboxamide
SMILESO=C(c1cc(-c2ccc(Cl)s2)nc2ccccc12)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H29ClN2OS/c27-25-16-15-24(31-25)23-17-21(20-13-7-8-14-22(20)28-23)26(30)29(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h7-8,13-19H,1-6,9-12H2
InChIKeyXIFUJPLBIOHHQS-UHFFFAOYSA-N
MW453.05 g/mol
LogP7.72
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-N,N-dicyclohexylquinoline-4-carboxamide

2-(5-chlorothiophen-2-yl)-N,N-dicyclohexylquinoline-4-carboxamide (PubChem CID 4610681) has the molecular formula C26H29ClN2OS and a molecular weight of 453.05 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N,N-dicyclohexylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N,N-dicyclohexylquinoline-4-carboxamide
PubChem CID4610681
Molecular FormulaC26H29ClN2OS
Molecular Weight453.05 g/mol
Exact Mass452.17
IUPAC Name2-(5-chlorothiophen-2-yl)-N,N-dicyclohexylquinoline-4-carboxamide
SMILESO=C(c1cc(-c2ccc(Cl)s2)nc2ccccc12)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H29ClN2OS/c27-25-16-15-24(31-25)23-17-21(20-13-7-8-14-22(20)28-23)26(30)29(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h7-8,13-19H,1-6,9-12H2
InChIKeyXIFUJPLBIOHHQS-UHFFFAOYSA-N
XLogP7.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.05
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide
CID 3554949
N,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4176250
2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 2862861
2-(5-chlorothiophen-2-yl)-N-[3-[[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3689968
2-(5-chlorothiophen-2-yl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 7535473
N-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide
CID 4155187
2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide
CID 4163216
2-(5-chlorothiophen-2-yl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]quinoline-4-carboxamide
CID 22110368
2-(5-chlorothiophen-2-yl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 1010569
[2-(5-chlorothiophen-2-yl)quinolin-4-yl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 55850525
2-(5-chlorothiophen-2-yl)-N-phenylmethoxyquinoline-4-carboxamide
CID 18229256
2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide
CID 1219796

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N,N-dicyclohexylquinoline-4-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N,N-dicyclohexylquinoline-4-carboxamide (CID 4610681) is 2-(5-chlorothiophen-2-yl)-N,N-dicyclohexylquinoline-4-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N,N-dicyclohexylquinoline-4-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N,N-dicyclohexylquinoline-4-carboxamide is O=C(c1cc(-c2ccc(Cl)s2)nc2ccccc12)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N,N-dicyclohexylquinoline-4-carboxamide?
The InChIKey is XIFUJPLBIOHHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2OS/c27-25-16-15-24(31-25)23-17-21(20-13-7-8-14-22(20)28-23)26(30)29(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h7-8,13-19H,1-6,9-12H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N,N-dicyclohexylquinoline-4-carboxamide?
2-(5-chlorothiophen-2-yl)-N,N-dicyclohexylquinoline-4-carboxamide has a molecular weight of 453.05 g/mol, XLogP of 7.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N,N-dicyclohexylquinoline-4-carboxamide is sourced from PubChem (CID 4610681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).