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

C17H13N5OS — CID 19685073

IUPAC2-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nn3cnnc3)c3ccccc3n2)s1
InChIInChI=1S/C17H13N5OS/c1-11-6-7-16(24-11)15-8-13(12-4-2-3-5-14(12)20-15)17(23)21-22-9-18-19-10-22/h2-10H,1H3,(H,21,23)
InChIKeyMLGYGEXCQLBGGX-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.25
Rot. Bonds3

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

2-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide (PubChem CID 19685073) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide
PubChem CID19685073
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC Name2-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nn3cnnc3)c3ccccc3n2)s1
InChIInChI=1S/C17H13N5OS/c1-11-6-7-16(24-11)15-8-13(12-4-2-3-5-14(12)20-15)17(23)21-22-9-18-19-10-22/h2-10H,1H3,(H,21,23)
InChIKeyMLGYGEXCQLBGGX-UHFFFAOYSA-N
XLogP3.25
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-methylthiophen-2-yl)quinoline-4-carbonyl chloride
CID 46779249
2-(5-methylthiophen-2-yl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 4137703
N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1009474
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4167956
N-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1261953
2-(5-methylthiophen-2-yl)-N-[2-[4-[2-(5-methylthiophen-2-yl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
CID 4083806
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4137707
2-(5-methylthiophen-2-yl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 3400866
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 5207442
2-(5-ethylthiophen-2-yl)quinoline-4-carbohydrazide
CID 25218964
N-(2-chloro-4-nitrophenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4591737
2-(5-methylthiophen-2-yl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3275160

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide (CID 19685073) is 2-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nn3cnnc3)c3ccccc3n2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide?
The InChIKey is MLGYGEXCQLBGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c1-11-6-7-16(24-11)15-8-13(12-4-2-3-5-14(12)20-15)17(23)21-22-9-18-19-10-22/h2-10H,1H3,(H,21,23).
What are the key properties of 2-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide?
2-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-N-(1,2,4-triazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19685073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).