2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide

C19H19ClN2OS — CID 4163216

IUPAC2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide
SMILESCCCCCNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C19H19ClN2OS/c1-2-3-6-11-21-19(23)14-12-16(17-9-10-18(20)24-17)22-15-8-5-4-7-13(14)15/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,21,23)
InChIKeyIPZUNKCFIQNHNY-UHFFFAOYSA-N
MW358.89 g/mol
LogP5.54
Rot. Bonds6

About 2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide

2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide (PubChem CID 4163216) has the molecular formula C19H19ClN2OS and a molecular weight of 358.89 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide
PubChem CID4163216
Molecular FormulaC19H19ClN2OS
Molecular Weight358.89 g/mol
Exact Mass358.09
IUPAC Name2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide
SMILESCCCCCNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12
InChIInChI=1S/C19H19ClN2OS/c1-2-3-6-11-21-19(23)14-12-16(17-9-10-18(20)24-17)22-15-8-5-4-7-13(14)15/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,21,23)
InChIKeyIPZUNKCFIQNHNY-UHFFFAOYSA-N
XLogP5.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.89
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chlorothiophen-2-yl)-N-[3-[[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3689968
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
CID 4162028
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
2-(5-chlorothiophen-2-yl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3457981
2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide
CID 4613424
2-(5-chlorothiophen-2-yl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 1010569
2-(5-chlorothiophen-2-yl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]quinoline-4-carboxamide
CID 22110368
2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468
2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132
2-(5-bromothiophen-2-yl)-N-[2-[butyl(methyl)amino]ethyl]quinoline-4-carboxamide
CID 15996066
N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 4192336

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide (CID 4163216) is 2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide is CCCCCNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide?
The InChIKey is IPZUNKCFIQNHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2OS/c1-2-3-6-11-21-19(23)14-12-16(17-9-10-18(20)24-17)22-15-8-5-4-7-13(14)15/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,21,23).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide?
2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide has a molecular weight of 358.89 g/mol, XLogP of 5.54, 6 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-pentylquinoline-4-carboxamide is sourced from PubChem (CID 4163216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).