2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide

C19H15N5O — CID 134004270

IUPAC2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2-n2cncn2)c2ccccc2n1
InChIInChI=1S/C19H15N5O/c1-13-10-15(14-6-2-3-7-16(14)22-13)19(25)23-17-8-4-5-9-18(17)24-12-20-11-21-24/h2-12H,1H3,(H,23,25)
InChIKeyIXSSXAGPUXPRFU-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.38
Rot. Bonds3

About 2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide

2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide (PubChem CID 134004270) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide
PubChem CID134004270
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2-n2cncn2)c2ccccc2n1
InChIInChI=1S/C19H15N5O/c1-13-10-15(14-6-2-3-7-16(14)22-13)19(25)23-17-8-4-5-9-18(17)24-12-20-11-21-24/h2-12H,1H3,(H,23,25)
InChIKeyIXSSXAGPUXPRFU-UHFFFAOYSA-N
XLogP3.38
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
CID 856039
5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55573291
N-(2-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide
CID 55613609
5-fluoro-2-methoxy-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 134004356
N-(5-amino-2-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 24698449
N-(2-amino-4-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 24710172
N-(2-fluoro-5-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17434472
N-(2-fluoro-4-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17451783
5-hydroxy-N-[2-(1,2,4-triazol-1-yl)phenyl]pyridine-3-carboxamide
CID 63859919
4-bromo-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrole-2-carboxamide
CID 60956274
2-iodo-N-(2-methylquinolin-4-yl)benzamide
CID 60653788
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide (CID 134004270) is 2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide is Cc1cc(C(=O)Nc2ccccc2-n2cncn2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide?
The InChIKey is IXSSXAGPUXPRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-13-10-15(14-6-2-3-7-16(14)22-13)19(25)23-17-8-4-5-9-18(17)24-12-20-11-21-24/h2-12H,1H3,(H,23,25).
What are the key properties of 2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide?
2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 134004270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).