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

C25H19N5O — CID 137375551

IUPAC5-methyl-1-(2-phenylphenyl)-N-quinolin-2-yltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3ccccc3n2)nnn1-c1ccccc1-c1ccccc1
InChIInChI=1S/C25H19N5O/c1-17-24(25(31)27-23-16-15-19-11-5-7-13-21(19)26-23)28-29-30(17)22-14-8-6-12-20(22)18-9-3-2-4-10-18/h2-16H,1H3,(H,26,27,31)
InChIKeyKEOSFGQTGHANAP-UHFFFAOYSA-N
MW405.46 g/mol
LogP5.04
Rot. Bonds4

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

5-methyl-1-(2-phenylphenyl)-N-quinolin-2-yltriazole-4-carboxamide (PubChem CID 137375551) has the molecular formula C25H19N5O and a molecular weight of 405.46 g/mol. Its IUPAC name is 5-methyl-1-(2-phenylphenyl)-N-quinolin-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(2-phenylphenyl)-N-quinolin-2-yltriazole-4-carboxamide
PubChem CID137375551
Molecular FormulaC25H19N5O
Molecular Weight405.46 g/mol
Exact Mass405.16
IUPAC Name5-methyl-1-(2-phenylphenyl)-N-quinolin-2-yltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3ccccc3n2)nnn1-c1ccccc1-c1ccccc1
InChIInChI=1S/C25H19N5O/c1-17-24(25(31)27-23-16-15-19-11-5-7-13-21(19)26-23)28-29-30(17)22-14-8-6-12-20(22)18-9-3-2-4-10-18/h2-16H,1H3,(H,26,27,31)
InChIKeyKEOSFGQTGHANAP-UHFFFAOYSA-N
XLogP5.04
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.46
LogP ≤ 55.04
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
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
1-phenyl-N-quinolin-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 137375547

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-phenylphenyl)-N-quinolin-2-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(2-phenylphenyl)-N-quinolin-2-yltriazole-4-carboxamide (CID 137375551) is 5-methyl-1-(2-phenylphenyl)-N-quinolin-2-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(2-phenylphenyl)-N-quinolin-2-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(2-phenylphenyl)-N-quinolin-2-yltriazole-4-carboxamide is Cc1c(C(=O)Nc2ccc3ccccc3n2)nnn1-c1ccccc1-c1ccccc1.
What is the InChIKey of 5-methyl-1-(2-phenylphenyl)-N-quinolin-2-yltriazole-4-carboxamide?
The InChIKey is KEOSFGQTGHANAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O/c1-17-24(25(31)27-23-16-15-19-11-5-7-13-21(19)26-23)28-29-30(17)22-14-8-6-12-20(22)18-9-3-2-4-10-18/h2-16H,1H3,(H,26,27,31).
What are the key properties of 5-methyl-1-(2-phenylphenyl)-N-quinolin-2-yltriazole-4-carboxamide?
5-methyl-1-(2-phenylphenyl)-N-quinolin-2-yltriazole-4-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-phenylphenyl)-N-quinolin-2-yltriazole-4-carboxamide is sourced from PubChem (CID 137375551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).