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

C21H19N5O — CID 137375552

IUPAC1-(2,4-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)Nc3ccc4ccccc4n3)c2C)c(C)c1
InChIInChI=1S/C21H19N5O/c1-13-8-10-18(14(2)12-13)26-15(3)20(24-25-26)21(27)23-19-11-9-16-6-4-5-7-17(16)22-19/h4-12H,1-3H3,(H,22,23,27)
InChIKeyJRDWPYLTIIGYGG-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.99
Rot. Bonds3

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

1-(2,4-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide (PubChem CID 137375552) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
PubChem CID137375552
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name1-(2,4-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)Nc3ccc4ccccc4n3)c2C)c(C)c1
InChIInChI=1S/C21H19N5O/c1-13-8-10-18(14(2)12-13)26-15(3)20(24-25-26)21(27)23-19-11-9-16-6-4-5-7-17(16)22-19/h4-12H,1-3H3,(H,22,23,27)
InChIKeyJRDWPYLTIIGYGG-UHFFFAOYSA-N
XLogP3.99
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide (CID 137375552) is 1-(2,4-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide is Cc1ccc(-n2nnc(C(=O)Nc3ccc4ccccc4n3)c2C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide?
The InChIKey is JRDWPYLTIIGYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-13-8-10-18(14(2)12-13)26-15(3)20(24-25-26)21(27)23-19-11-9-16-6-4-5-7-17(16)22-19/h4-12H,1-3H3,(H,22,23,27).
What are the key properties of 1-(2,4-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide?
1-(2,4-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide is sourced from PubChem (CID 137375552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).