N-(6-hydroxyquinolin-2-yl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide

C20H17N5O2 — CID 167205999

IUPACN-(6-hydroxyquinolin-2-yl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide
SMILESCc1ccccc1-n1nnc(C(=O)Nc2ccc3cc(O)ccc3n2)c1C
InChIInChI=1S/C20H17N5O2/c1-12-5-3-4-6-17(12)25-13(2)19(23-24-25)20(27)22-18-10-7-14-11-15(26)8-9-16(14)21-18/h3-11,26H,1-2H3,(H,21,22,27)
InChIKeyBJFBHZQMGDCSGR-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.39
Rot. Bonds3

About N-(6-hydroxyquinolin-2-yl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide

N-(6-hydroxyquinolin-2-yl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide (PubChem CID 167205999) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(6-hydroxyquinolin-2-yl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxyquinolin-2-yl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide
PubChem CID167205999
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-(6-hydroxyquinolin-2-yl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide
SMILESCc1ccccc1-n1nnc(C(=O)Nc2ccc3cc(O)ccc3n2)c1C
InChIInChI=1S/C20H17N5O2/c1-12-5-3-4-6-17(12)25-13(2)19(23-24-25)20(27)22-18-10-7-14-11-15(26)8-9-16(14)21-18/h3-11,26H,1-2H3,(H,21,22,27)
InChIKeyBJFBHZQMGDCSGR-UHFFFAOYSA-N
XLogP3.39
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-acetylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
CID 137375578
5-methyl-1-(2-methylphenyl)-N-(1,8-naphthyridin-2-yl)triazole-4-carboxamide
CID 166156402
N-(2,4-difluorophenyl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide
CID 7184924
1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one;5-methyl-1-(2-methylphenyl)-N-[6-[(4-pentanoylpiperazin-1-yl)methyl]quinolin-2-yl]triazole-4-carboxamide
CID 166156658
tert-butyl 4-[[2-[[5-methyl-1-(2-methylphenyl)triazole-4-carbonyl]amino]quinolin-8-yl]methyl]piperazine-1-carboxylate
CID 166156605
N-(6-hydroxyquinolin-2-yl)-2,2-dimethylpropanamide
CID 146492851
1-(2-methoxyphenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide
CID 6493801
N-(2-ethoxy-6-methylphenyl)-1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 127046482
5-methyl-1-naphthalen-1-yl-N-phenyltriazole-4-carboxamide
CID 3053676
methyl 2-[[1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 9152403
1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
CID 16649250
1-(2-fluorophenyl)-5-methyl-N-phenyltriazole-4-carboxamide
CID 2137590

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyquinolin-2-yl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(6-hydroxyquinolin-2-yl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide (CID 167205999) is N-(6-hydroxyquinolin-2-yl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(6-hydroxyquinolin-2-yl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(6-hydroxyquinolin-2-yl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide is Cc1ccccc1-n1nnc(C(=O)Nc2ccc3cc(O)ccc3n2)c1C.
What is the InChIKey of N-(6-hydroxyquinolin-2-yl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide?
The InChIKey is BJFBHZQMGDCSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-12-5-3-4-6-17(12)25-13(2)19(23-24-25)20(27)22-18-10-7-14-11-15(26)8-9-16(14)21-18/h3-11,26H,1-2H3,(H,21,22,27).
What are the key properties of N-(6-hydroxyquinolin-2-yl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide?
N-(6-hydroxyquinolin-2-yl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyquinolin-2-yl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 167205999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).