6-methyl-N-(1-phenylethyl)-2-thiophen-3-ylquinoline-4-carboxamide

C23H20N2OS — CID 42749878

IUPAC6-methyl-N-(1-phenylethyl)-2-thiophen-3-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccsc3)cc(C(=O)NC(C)c3ccccc3)c2c1
InChIInChI=1S/C23H20N2OS/c1-15-8-9-21-19(12-15)20(13-22(25-21)18-10-11-27-14-18)23(26)24-16(2)17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,24,26)
InChIKeyUJLYBFZAJZGYMV-UHFFFAOYSA-N
MW372.49 g/mol
LogP5.76
Rot. Bonds4

About 6-methyl-N-(1-phenylethyl)-2-thiophen-3-ylquinoline-4-carboxamide

6-methyl-N-(1-phenylethyl)-2-thiophen-3-ylquinoline-4-carboxamide (PubChem CID 42749878) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is 6-methyl-N-(1-phenylethyl)-2-thiophen-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(1-phenylethyl)-2-thiophen-3-ylquinoline-4-carboxamide
PubChem CID42749878
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC Name6-methyl-N-(1-phenylethyl)-2-thiophen-3-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccsc3)cc(C(=O)NC(C)c3ccccc3)c2c1
InChIInChI=1S/C23H20N2OS/c1-15-8-9-21-19(12-15)20(13-22(25-21)18-10-11-27-14-18)23(26)24-16(2)17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,24,26)
InChIKeyUJLYBFZAJZGYMV-UHFFFAOYSA-N
XLogP5.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 2220449
6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-(1-phenylethyl)quinoline-4-carboxamide
CID 46323602
6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 92869410
6-fluoro-N-(1-phenylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42750181
2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1221741
2-(3,4-dimethylphenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 42749696
2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 903434
2,6-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)quinoline-4-carboxamide
CID 55974194
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1273223
N-benzhydryl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 3616650
[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749891
N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 3397561

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1-phenylethyl)-2-thiophen-3-ylquinoline-4-carboxamide?
The IUPAC name of 6-methyl-N-(1-phenylethyl)-2-thiophen-3-ylquinoline-4-carboxamide (CID 42749878) is 6-methyl-N-(1-phenylethyl)-2-thiophen-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(1-phenylethyl)-2-thiophen-3-ylquinoline-4-carboxamide?
The canonical SMILES for 6-methyl-N-(1-phenylethyl)-2-thiophen-3-ylquinoline-4-carboxamide is Cc1ccc2nc(-c3ccsc3)cc(C(=O)NC(C)c3ccccc3)c2c1.
What is the InChIKey of 6-methyl-N-(1-phenylethyl)-2-thiophen-3-ylquinoline-4-carboxamide?
The InChIKey is UJLYBFZAJZGYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c1-15-8-9-21-19(12-15)20(13-22(25-21)18-10-11-27-14-18)23(26)24-16(2)17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,24,26).
What are the key properties of 6-methyl-N-(1-phenylethyl)-2-thiophen-3-ylquinoline-4-carboxamide?
6-methyl-N-(1-phenylethyl)-2-thiophen-3-ylquinoline-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1-phenylethyl)-2-thiophen-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 42749878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).