1-(2,3-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide

C21H19N5O — CID 137375569

IUPAC1-(2,3-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)Nc3ccc4ccccc4n3)c2C)c1C
InChIInChI=1S/C21H19N5O/c1-13-7-6-10-18(14(13)2)26-15(3)20(24-25-26)21(27)23-19-12-11-16-8-4-5-9-17(16)22-19/h4-12H,1-3H3,(H,22,23,27)
InChIKeyLVLCICJOUBRCJA-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.99
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide

1-(2,3-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide (PubChem CID 137375569) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
PubChem CID137375569
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name1-(2,3-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide
SMILESCc1cccc(-n2nnc(C(=O)Nc3ccc4ccccc4n3)c2C)c1C
InChIInChI=1S/C21H19N5O/c1-13-7-6-10-18(14(13)2)26-15(3)20(24-25-26)21(27)23-19-12-11-16-8-4-5-9-17(16)22-19/h4-12H,1-3H3,(H,22,23,27)
InChIKeyLVLCICJOUBRCJA-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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Related Compounds

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
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
5-ethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375539
1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375541
1-(2-bromophenyl)-3,5-dimethyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375543

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide?
The IUPAC name of 1-(2,3-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide (CID 137375569) is 1-(2,3-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-(2,3-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide is Cc1cccc(-n2nnc(C(=O)Nc3ccc4ccccc4n3)c2C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide?
The InChIKey is LVLCICJOUBRCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-13-7-6-10-18(14(13)2)26-15(3)20(24-25-26)21(27)23-19-12-11-16-8-4-5-9-17(16)22-19/h4-12H,1-3H3,(H,22,23,27).
What are the key properties of 1-(2,3-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide?
1-(2,3-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-(2,3-dimethylphenyl)-5-methyl-N-quinolin-2-yltriazole-4-carboxamide is sourced from PubChem (CID 137375569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).