2-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide

C24H19N5OS — CID 16574185

IUPAC2-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C24H19N5OS/c1-16(17-8-10-18(11-9-17)29-15-25-14-26-29)27-24(30)20-13-22(23-7-4-12-31-23)28-21-6-3-2-5-19(20)21/h2-16H,1H3,(H,27,30)
InChIKeyYLHWKWHNNJNLEA-UHFFFAOYSA-N
MW425.52 g/mol
LogP5.03
Rot. Bonds5

About 2-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide

2-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide (PubChem CID 16574185) has the molecular formula C24H19N5OS and a molecular weight of 425.52 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide
PubChem CID16574185
Molecular FormulaC24H19N5OS
Molecular Weight425.52 g/mol
Exact Mass425.13
IUPAC Name2-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C24H19N5OS/c1-16(17-8-10-18(11-9-17)29-15-25-14-26-29)27-24(30)20-13-22(23-7-4-12-31-23)28-21-6-3-2-5-19(20)21/h2-16H,1H3,(H,27,30)
InChIKeyYLHWKWHNNJNLEA-UHFFFAOYSA-N
XLogP5.03
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.52
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-methylfuran-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide
CID 16574165
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261789
2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 41048012
N-[(2R)-3,3-dimethylbutan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261855
6-fluoro-N-(1-phenylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42750181
N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3576119
2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 25490801
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 8733849
2,5-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide
CID 51199209
2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 32966489
4-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-2-carboxamide
CID 95784465
2,4-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 16574178

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide (CID 16574185) is 2-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide is CC(NC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 2-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide?
The InChIKey is YLHWKWHNNJNLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5OS/c1-16(17-8-10-18(11-9-17)29-15-25-14-26-29)27-24(30)20-13-22(23-7-4-12-31-23)28-21-6-3-2-5-19(20)21/h2-16H,1H3,(H,27,30).
What are the key properties of 2-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide?
2-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide has a molecular weight of 425.52 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 16574185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).