1-(2-acetylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide

C21H17N5O2 — CID 137375578

IUPAC1-(2-acetylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
SMILESCC(=O)c1ccccc1-n1nnc(C(=O)Nc2ccc3ccccc3n2)c1C
InChIInChI=1S/C21H17N5O2/c1-13-20(24-25-26(13)18-10-6-4-8-16(18)14(2)27)21(28)23-19-12-11-15-7-3-5-9-17(15)22-19/h3-12H,1-2H3,(H,22,23,28)
InChIKeyASXMTIPUKIOUJH-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.58
Rot. Bonds4

About 1-(2-acetylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide

1-(2-acetylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide (PubChem CID 137375578) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 1-(2-acetylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-acetylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
PubChem CID137375578
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name1-(2-acetylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
SMILESCC(=O)c1ccccc1-n1nnc(C(=O)Nc2ccc3ccccc3n2)c1C
InChIInChI=1S/C21H17N5O2/c1-13-20(24-25-26(13)18-10-6-4-8-16(18)14(2)27)21(28)23-19-12-11-15-7-3-5-9-17(15)22-19/h3-12H,1-2H3,(H,22,23,28)
InChIKeyASXMTIPUKIOUJH-UHFFFAOYSA-N
XLogP3.58
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-hydroxyquinolin-2-yl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide
CID 167205999
5-methyl-1-(2-methylphenyl)-N-(1,8-naphthyridin-2-yl)triazole-4-carboxamide
CID 166156402
5-methyl-1-naphthalen-1-yl-N-phenyltriazole-4-carboxamide
CID 3053676
1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide
CID 2137590
1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375541
1-(2-methoxyphenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide
CID 6493801
3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 51193529
5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375534
N'-[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]quinoline-2-carbohydrazide
CID 55881693
3,5-difluoro-N-quinolin-2-ylbenzamide
CID 51193516
N-quinolin-2-ylnaphthalene-2-carboxamide
CID 46811579
1-tert-butyl-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375557

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide?
The IUPAC name of 1-(2-acetylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide (CID 137375578) is 1-(2-acetylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-(2-acetylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-(2-acetylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide is CC(=O)c1ccccc1-n1nnc(C(=O)Nc2ccc3ccccc3n2)c1C.
What is the InChIKey of 1-(2-acetylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide?
The InChIKey is ASXMTIPUKIOUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-13-20(24-25-26(13)18-10-6-4-8-16(18)14(2)27)21(28)23-19-12-11-15-7-3-5-9-17(15)22-19/h3-12H,1-2H3,(H,22,23,28).
What are the key properties of 1-(2-acetylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide?
1-(2-acetylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide is sourced from PubChem (CID 137375578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).