2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide

C22H17ClN2OS — CID 3457981

IUPAC2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C22H17ClN2OS/c1-2-14-7-3-5-9-17(14)25-22(26)16-13-19(20-11-12-21(23)27-20)24-18-10-6-4-8-15(16)18/h3-13H,2H2,1H3,(H,25,26)
InChIKeyZWLDVRFVBUQSBW-UHFFFAOYSA-N
MW392.91 g/mol
LogP6.43
Rot. Bonds4

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

2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide (PubChem CID 3457981) has the molecular formula C22H17ClN2OS and a molecular weight of 392.91 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide
PubChem CID3457981
Molecular FormulaC22H17ClN2OS
Molecular Weight392.91 g/mol
Exact Mass392.08
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C22H17ClN2OS/c1-2-14-7-3-5-9-17(14)25-22(26)16-13-19(20-11-12-21(23)27-20)24-18-10-6-4-8-15(16)18/h3-13H,2H2,1H3,(H,25,26)
InChIKeyZWLDVRFVBUQSBW-UHFFFAOYSA-N
XLogP6.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.91
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 4152465
2-(5-chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)quinoline-4-carboxamide
CID 4198471
2-(5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4183460
2-(5-chlorothiophen-2-yl)-N-(2-nitrophenyl)quinoline-4-carboxamide
CID 4115953
2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide
CID 1219796
N-(4-anilinophenyl)-2-(5-chlorothiophen-2-yl)quinoline-4-carboxamide
CID 4155187
2-(4-bromophenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 4289589
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-pentylquinoline-4-carboxamide
CID 4163216
2-(5-methylthiophen-2-yl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 4137703
2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3129381
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-(2-ethylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide (CID 3457981) is 2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide is CCc1ccccc1NC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide?
The InChIKey is ZWLDVRFVBUQSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2OS/c1-2-14-7-3-5-9-17(14)25-22(26)16-13-19(20-11-12-21(23)27-20)24-18-10-6-4-8-15(16)18/h3-13H,2H2,1H3,(H,25,26).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide?
2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide has a molecular weight of 392.91 g/mol, XLogP of 6.43, 4 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-(2-ethylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3457981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).