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

C20H17N5O — CID 137375558

IUPAC5-methyl-1-(2-methylphenyl)-N-quinolin-2-yltriazole-4-carboxamide
SMILESCc1ccccc1-n1nnc(C(=O)Nc2ccc3ccccc3n2)c1C
InChIInChI=1S/C20H17N5O/c1-13-7-3-6-10-17(13)25-14(2)19(23-24-25)20(26)22-18-12-11-15-8-4-5-9-16(15)21-18/h3-12H,1-2H3,(H,21,22,26)
InChIKeySXZFICNOPPNYJM-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.68
Rot. Bonds3

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

5-methyl-1-(2-methylphenyl)-N-quinolin-2-yltriazole-4-carboxamide (PubChem CID 137375558) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-methyl-1-(2-methylphenyl)-N-quinolin-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(2-methylphenyl)-N-quinolin-2-yltriazole-4-carboxamide
PubChem CID137375558
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name5-methyl-1-(2-methylphenyl)-N-quinolin-2-yltriazole-4-carboxamide
SMILESCc1ccccc1-n1nnc(C(=O)Nc2ccc3ccccc3n2)c1C
InChIInChI=1S/C20H17N5O/c1-13-7-3-6-10-17(13)25-14(2)19(23-24-25)20(26)22-18-12-11-15-8-4-5-9-16(15)21-18/h3-12H,1-2H3,(H,21,22,26)
InChIKeySXZFICNOPPNYJM-UHFFFAOYSA-N
XLogP3.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375517
Cambridge id 6030410
CID 761228
3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 51193529
1-(2-bromophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
CID 137375507
1-(2-cyanophenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
CID 137375514
1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-3-carboxamide
CID 137375515
1-(2-fluorophenyl)-5-propan-2-yl-N-quinolin-2-yltriazole-4-carboxamide
CID 137375523
1-phenyl-N-quinolin-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 137375524
1-(2,6-difluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375530
N-(6-bromoquinolin-2-yl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide
CID 137375531
1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375532
5-Methyl-1-phenyl-N-(quinolin-2-yl)-1H-pyrazole-4-carboxamide
CID 137375534

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylphenyl)-N-quinolin-2-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(2-methylphenyl)-N-quinolin-2-yltriazole-4-carboxamide (CID 137375558) is 5-methyl-1-(2-methylphenyl)-N-quinolin-2-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(2-methylphenyl)-N-quinolin-2-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(2-methylphenyl)-N-quinolin-2-yltriazole-4-carboxamide is Cc1ccccc1-n1nnc(C(=O)Nc2ccc3ccccc3n2)c1C.
What is the InChIKey of 5-methyl-1-(2-methylphenyl)-N-quinolin-2-yltriazole-4-carboxamide?
The InChIKey is SXZFICNOPPNYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-7-3-6-10-17(13)25-14(2)19(23-24-25)20(26)22-18-12-11-15-8-4-5-9-16(15)21-18/h3-12H,1-2H3,(H,21,22,26).
What are the key properties of 5-methyl-1-(2-methylphenyl)-N-quinolin-2-yltriazole-4-carboxamide?
5-methyl-1-(2-methylphenyl)-N-quinolin-2-yltriazole-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylphenyl)-N-quinolin-2-yltriazole-4-carboxamide is sourced from PubChem (CID 137375558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).