2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide

C21H15ClN2OS — CID 4304622

IUPAC2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1cccs1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C21H15ClN2OS/c22-15-9-7-14(8-10-15)20-12-18(17-5-1-2-6-19(17)24-20)21(25)23-13-16-4-3-11-26-16/h1-12H,13H2,(H,23,25)
InChIKeyMLZORNSLAHLOIZ-UHFFFAOYSA-N
MW378.88 g/mol
LogP5.55
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide

2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 4304622) has the molecular formula C21H15ClN2OS and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
PubChem CID4304622
Molecular FormulaC21H15ClN2OS
Molecular Weight378.88 g/mol
Exact Mass378.06
IUPAC Name2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1cccs1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C21H15ClN2OS/c22-15-9-7-14(8-10-15)20-12-18(17-5-1-2-6-19(17)24-20)21(25)23-13-16-4-3-11-26-16/h1-12H,13H2,(H,23,25)
InChIKeyMLZORNSLAHLOIZ-UHFFFAOYSA-N
XLogP5.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.88
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 4182040
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
2-(5-chlorothiophen-2-yl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 1010569
2-(4-chlorophenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide
CID 136993193
6-chloro-N-[(4-chlorophenyl)methyl]-2-phenylquinoline-4-carboxamide
CID 4632644
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 5141556
2-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]quinoline-4-carboxamide
CID 3540757
2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
CID 9299791
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
1-methyl-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134791791
[2-(methylamino)-2-oxoethyl] 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]acetate
CID 8544012
2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2163412

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide (CID 4304622) is 2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide is O=C(NCc1cccs1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is MLZORNSLAHLOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2OS/c22-15-9-7-14(8-10-15)20-12-18(17-5-1-2-6-19(17)24-20)21(25)23-13-16-4-3-11-26-16/h1-12H,13H2,(H,23,25).
What are the key properties of 2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 378.88 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 4304622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).