N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide

C24H22N2OS — CID 3576119

IUPACN-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C24H22N2OS/c1-17(13-14-18-8-3-2-4-9-18)25-24(27)20-16-22(23-12-7-15-28-23)26-21-11-6-5-10-19(20)21/h2-12,15-17H,13-14H2,1H3,(H,25,27)
InChIKeyHUXKCALAQPXZCE-UHFFFAOYSA-N
MW386.52 g/mol
LogP5.71
Rot. Bonds6

About N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 3576119) has the molecular formula C24H22N2OS and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID3576119
Molecular FormulaC24H22N2OS
Molecular Weight386.52 g/mol
Exact Mass386.15
IUPAC NameN-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C24H22N2OS/c1-17(13-14-18-8-3-2-4-9-18)25-24(27)20-16-22(23-12-7-15-28-23)26-21-11-6-5-10-19(20)21/h2-12,15-17H,13-14H2,1H3,(H,25,27)
InChIKeyHUXKCALAQPXZCE-UHFFFAOYSA-N
XLogP5.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261855
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 8733849
N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3296086
2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide
CID 7032720
N-(4,6-dimethyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4588937
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261789
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7249590
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 2693325
N-[2-(3-chlorophenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 3439014
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 15987887
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 129376502
N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261690

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 3576119) is N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide is CC(CCc1ccccc1)NC(=O)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is HUXKCALAQPXZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2OS/c1-17(13-14-18-8-3-2-4-9-18)25-24(27)20-16-22(23-12-7-15-28-23)26-21-11-6-5-10-19(20)21/h2-12,15-17H,13-14H2,1H3,(H,25,27).
What are the key properties of N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 3576119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).