2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide

C21H15ClN2OS — CID 1219796

IUPAC2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c1
InChIInChI=1S/C21H15ClN2OS/c1-13-5-4-6-14(11-13)23-21(25)16-12-18(19-9-10-20(22)26-19)24-17-8-3-2-7-15(16)17/h2-12H,1H3,(H,23,25)
InChIKeyJBBUNFMOQMKWAI-UHFFFAOYSA-N
MW378.88 g/mol
LogP6.18
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide

2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide (PubChem CID 1219796) has the molecular formula C21H15ClN2OS and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide
PubChem CID1219796
Molecular FormulaC21H15ClN2OS
Molecular Weight378.88 g/mol
Exact Mass378.06
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c1
InChIInChI=1S/C21H15ClN2OS/c1-13-5-4-6-14(11-13)23-21(25)16-12-18(19-9-10-20(22)26-19)24-17-8-3-2-7-15(16)17/h2-12H,1H3,(H,23,25)
InChIKeyJBBUNFMOQMKWAI-UHFFFAOYSA-N
XLogP6.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.88
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1009474
N-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide
CID 4155187
2-(5-chlorothiophen-2-yl)-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 1023167
2-(5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4183460
2-(5-chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)quinoline-4-carboxamide
CID 4198471
2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3457981
2-(5-bromothiophen-2-yl)-N-(3-methoxyphenyl)quinoline-4-carboxamide
CID 15997152
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-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 4152465
2-(5-chlorothiophen-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide
CID 4115953
2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide
CID 4163216
2-(2-methylphenyl)-N-[3-[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 3276867

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide (CID 1219796) is 2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide is Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide?
The InChIKey is JBBUNFMOQMKWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2OS/c1-13-5-4-6-14(11-13)23-21(25)16-12-18(19-9-10-20(22)26-19)24-17-8-3-2-7-15(16)17/h2-12H,1H3,(H,23,25).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide?
2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide has a molecular weight of 378.88 g/mol, XLogP of 6.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1219796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).