2-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide

C16H11N5OS — CID 30865965

IUPAC2-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C16H11N5OS/c22-15(20-16-17-9-18-21-16)11-8-13(14-6-3-7-23-14)19-12-5-2-1-4-10(11)12/h1-9H,(H2,17,18,20,21,22)
InChIKeyVBJDGBZXMDYDHP-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.33
Rot. Bonds3

About 2-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide

2-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide (PubChem CID 30865965) has the molecular formula C16H11N5OS and a molecular weight of 321.37 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
PubChem CID30865965
Molecular FormulaC16H11N5OS
Molecular Weight321.37 g/mol
Exact Mass321.07
IUPAC Name2-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C16H11N5OS/c22-15(20-16-17-9-18-21-16)11-8-13(14-6-3-7-23-14)19-12-5-2-1-4-10(11)12/h1-9H,(H2,17,18,20,21,22)
InChIKeyVBJDGBZXMDYDHP-UHFFFAOYSA-N
XLogP3.33
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-4-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 30865963
2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 30865928
2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 35524053
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962
N-(4,6-dimethyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4588937
N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261690
N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2313908
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
N-(4-sulfamoylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3368053
N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2340923
N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55532752

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide?
The IUPAC name of 2-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide (CID 30865965) is 2-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide is O=C(Nc1ncn[nH]1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of 2-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide?
The InChIKey is VBJDGBZXMDYDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5OS/c22-15(20-16-17-9-18-21-16)11-8-13(14-6-3-7-23-14)19-12-5-2-1-4-10(11)12/h1-9H,(H2,17,18,20,21,22).
What are the key properties of 2-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide?
2-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide has a molecular weight of 321.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide is sourced from PubChem (CID 30865965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).