4-chloro-N-(4-phenylbutan-2-yl)thieno[3,2-c]quinoline-2-carboxamide

C22H19ClN2OS — CID 46256134

IUPAC4-chloro-N-(4-phenylbutan-2-yl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cc2c(Cl)nc3ccccc3c2s1
InChIInChI=1S/C22H19ClN2OS/c1-14(11-12-15-7-3-2-4-8-15)24-22(26)19-13-17-20(27-19)16-9-5-6-10-18(16)25-21(17)23/h2-10,13-14H,11-12H2,1H3,(H,24,26)
InChIKeyOCHFQKWWWXDUND-UHFFFAOYSA-N
MW394.93 g/mol
LogP5.85
Rot. Bonds5

About 4-chloro-N-(4-phenylbutan-2-yl)thieno[3,2-c]quinoline-2-carboxamide

4-chloro-N-(4-phenylbutan-2-yl)thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 46256134) has the molecular formula C22H19ClN2OS and a molecular weight of 394.93 g/mol. Its IUPAC name is 4-chloro-N-(4-phenylbutan-2-yl)thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-phenylbutan-2-yl)thieno[3,2-c]quinoline-2-carboxamide
PubChem CID46256134
Molecular FormulaC22H19ClN2OS
Molecular Weight394.93 g/mol
Exact Mass394.09
IUPAC Name4-chloro-N-(4-phenylbutan-2-yl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1cc2c(Cl)nc3ccccc3c2s1
InChIInChI=1S/C22H19ClN2OS/c1-14(11-12-15-7-3-2-4-8-15)24-22(26)19-13-17-20(27-19)16-9-5-6-10-18(16)25-21(17)23/h2-10,13-14H,11-12H2,1H3,(H,24,26)
InChIKeyOCHFQKWWWXDUND-UHFFFAOYSA-N
XLogP5.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.93
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-chloro-N-(4-phenylbutan-2-yl)thieno[3,2-c]quinoline-2-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

4-chloro-N-[(4-fluorophenyl)methyl]thieno[3,2-c]quinoline-2-carboxamide
CID 46256044
2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide
CID 7032720
5-(3-chlorophenyl)-N-[(2S)-4-phenylbutan-2-yl]thiophene-2-carboxamide
CID 92762194
N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3576119
N-(4-phenylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
CID 107026936
5,6-dichloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-carboxamide
CID 7987043
6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide
CID 62186305
3-methyl-N-(4-phenylbutan-2-yl)-1,2,4-thiadiazole-5-carboxamide
CID 71807160
N-(4-phenylbutan-2-yl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171046
3-ethyl-2-phenyl-N-(4-phenylbutan-2-yl)quinoline-4-carboxamide
CID 4282482
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
4-chloro-N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]thieno[3,2-c]quinoline-2-carboxamide
CID 46256188

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-phenylbutan-2-yl)thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-(4-phenylbutan-2-yl)thieno[3,2-c]quinoline-2-carboxamide (CID 46256134) is 4-chloro-N-(4-phenylbutan-2-yl)thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-phenylbutan-2-yl)thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-(4-phenylbutan-2-yl)thieno[3,2-c]quinoline-2-carboxamide is CC(CCc1ccccc1)NC(=O)c1cc2c(Cl)nc3ccccc3c2s1.
What is the InChIKey of 4-chloro-N-(4-phenylbutan-2-yl)thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is OCHFQKWWWXDUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2OS/c1-14(11-12-15-7-3-2-4-8-15)24-22(26)19-13-17-20(27-19)16-9-5-6-10-18(16)25-21(17)23/h2-10,13-14H,11-12H2,1H3,(H,24,26).
What are the key properties of 4-chloro-N-(4-phenylbutan-2-yl)thieno[3,2-c]quinoline-2-carboxamide?
4-chloro-N-(4-phenylbutan-2-yl)thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 394.93 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-phenylbutan-2-yl)thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 46256134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).