N-butan-2-yl-2-(3-chlorophenyl)sulfanylquinoline-4-carboxamide

C20H19ClN2OS — CID 4077176

IUPACN-butan-2-yl-2-(3-chlorophenyl)sulfanylquinoline-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Sc2cccc(Cl)c2)nc2ccccc12
InChIInChI=1S/C20H19ClN2OS/c1-3-13(2)22-20(24)17-12-19(23-18-10-5-4-9-16(17)18)25-15-8-6-7-14(21)11-15/h4-13H,3H2,1-2H3,(H,22,24)
InChIKeyXHHLAWKZRWGBQJ-UHFFFAOYSA-N
MW370.91 g/mol
LogP5.57
Rot. Bonds5

About N-butan-2-yl-2-(3-chlorophenyl)sulfanylquinoline-4-carboxamide

N-butan-2-yl-2-(3-chlorophenyl)sulfanylquinoline-4-carboxamide (PubChem CID 4077176) has the molecular formula C20H19ClN2OS and a molecular weight of 370.91 g/mol. Its IUPAC name is N-butan-2-yl-2-(3-chlorophenyl)sulfanylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(3-chlorophenyl)sulfanylquinoline-4-carboxamide
PubChem CID4077176
Molecular FormulaC20H19ClN2OS
Molecular Weight370.91 g/mol
Exact Mass370.09
IUPAC NameN-butan-2-yl-2-(3-chlorophenyl)sulfanylquinoline-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(Sc2cccc(Cl)c2)nc2ccccc12
InChIInChI=1S/C20H19ClN2OS/c1-3-13(2)22-20(24)17-12-19(23-18-10-5-4-9-16(17)18)25-15-8-6-7-14(21)11-15/h4-13H,3H2,1-2H3,(H,22,24)
InChIKeyXHHLAWKZRWGBQJ-UHFFFAOYSA-N
XLogP5.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.91
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-2-(3-chlorophenyl)sulfanylquinoline-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-Chloro-N-cyclopropyl-4-quinolinecarboxamide
CID 7131550
N-(3-methylbutyl)-2-thien-2-ylquinoline-4-carboxamide
CID 4227699
3-(methylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 16065257
(S)-3-(methylsulfonyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 16065390
3-(ethylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 16065391
2-(3-chlorophenyl)-N-cyclopropyl-3-methyl-4-quinolinecarboxamide
CID 841557
N-[(3-chlorophenyl)methyl]-2-methylquinoline-4-carboxamide
CID 2088463
2-chloro-N-(4-methylcyclohexyl)quinoline-4-carboxamide
CID 39902825
2-(3-fluorophenyl)-3-(methylsulfinyl)-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 53317131
3-(isopropylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 53323749
7-fluoro-3-(methylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 53324128
2-(4-fluorophenyl)-3-(methylsulfinyl)-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 53326315

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3-chlorophenyl)sulfanylquinoline-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-(3-chlorophenyl)sulfanylquinoline-4-carboxamide (CID 4077176) is N-butan-2-yl-2-(3-chlorophenyl)sulfanylquinoline-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(3-chlorophenyl)sulfanylquinoline-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(3-chlorophenyl)sulfanylquinoline-4-carboxamide is CCC(C)NC(=O)c1cc(Sc2cccc(Cl)c2)nc2ccccc12.
What is the InChIKey of N-butan-2-yl-2-(3-chlorophenyl)sulfanylquinoline-4-carboxamide?
The InChIKey is XHHLAWKZRWGBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2OS/c1-3-13(2)22-20(24)17-12-19(23-18-10-5-4-9-16(17)18)25-15-8-6-7-14(21)11-15/h4-13H,3H2,1-2H3,(H,22,24).
What are the key properties of N-butan-2-yl-2-(3-chlorophenyl)sulfanylquinoline-4-carboxamide?
N-butan-2-yl-2-(3-chlorophenyl)sulfanylquinoline-4-carboxamide has a molecular weight of 370.91 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3-chlorophenyl)sulfanylquinoline-4-carboxamide is sourced from PubChem (CID 4077176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).