2-(5-chlorothiophen-2-yl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide

C24H21ClN2OS — CID 7535473

IUPAC2-(5-chlorothiophen-2-yl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)cc1
InChIInChI=1S/C24H21ClN2OS/c1-3-16-8-10-17(11-9-16)15-27(2)24(28)19-14-21(22-12-13-23(25)29-22)26-20-7-5-4-6-18(19)20/h4-14H,3,15H2,1-2H3
InChIKeySJMAFLMYYNMXBA-UHFFFAOYSA-N
MW420.97 g/mol
LogP6.45
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide

2-(5-chlorothiophen-2-yl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide (PubChem CID 7535473) has the molecular formula C24H21ClN2OS and a molecular weight of 420.97 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide
PubChem CID7535473
Molecular FormulaC24H21ClN2OS
Molecular Weight420.97 g/mol
Exact Mass420.11
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)cc1
InChIInChI=1S/C24H21ClN2OS/c1-3-16-8-10-17(11-9-16)15-27(2)24(28)19-14-21(22-12-13-23(25)29-22)26-20-7-5-4-6-18(19)20/h4-14H,3,15H2,1-2H3
InChIKeySJMAFLMYYNMXBA-UHFFFAOYSA-N
XLogP6.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.97
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 7535435
2-(5-chlorothiophen-2-yl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]quinoline-4-carboxamide
CID 22110368
2-(5-chlorothiophen-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
CID 18160155
2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3457981
2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide
CID 4163216
2-(5-chlorothiophen-2-yl)-N-[3-[[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3689968
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
CID 55398558
2-(5-chlorothiophen-2-yl)-N,N-dicyclohexylquinoline-4-carboxamide
CID 4610681
N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide
CID 995912
[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
CID 2484411
2-(5-chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)quinoline-4-carboxamide
CID 4198471
2-(5-chlorothiophen-2-yl)-N-phenylmethoxyquinoline-4-carboxamide
CID 18229256

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide (CID 7535473) is 2-(5-chlorothiophen-2-yl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide is CCc1ccc(CN(C)C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)cc1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide?
The InChIKey is SJMAFLMYYNMXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2OS/c1-3-16-8-10-17(11-9-16)15-27(2)24(28)19-14-21(22-12-13-23(25)29-22)26-20-7-5-4-6-18(19)20/h4-14H,3,15H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide?
2-(5-chlorothiophen-2-yl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide has a molecular weight of 420.97 g/mol, XLogP of 6.45, 5 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-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 7535473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).