N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylquinoline-4-carboxamide

C25H19N5O2 — CID 55646004

IUPACN-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylquinoline-4-carboxamide
SMILESCOc1ccccc1-c1nc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C25H19N5O2/c1-32-22-14-8-6-12-18(22)23-27-25(30-29-23)28-24(31)19-15-21(16-9-3-2-4-10-16)26-20-13-7-5-11-17(19)20/h2-15H,1H3,(H2,27,28,29,30,31)
InChIKeyMRKNAQVOJSUZSE-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.95
Rot. Bonds5

About N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylquinoline-4-carboxamide

N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylquinoline-4-carboxamide (PubChem CID 55646004) has the molecular formula C25H19N5O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylquinoline-4-carboxamide
PubChem CID55646004
Molecular FormulaC25H19N5O2
Molecular Weight421.46 g/mol
Exact Mass421.15
IUPAC NameN-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylquinoline-4-carboxamide
SMILESCOc1ccccc1-c1nc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C25H19N5O2/c1-32-22-14-8-6-12-18(22)23-27-25(30-29-23)28-24(31)19-15-21(16-9-3-2-4-10-16)26-20-13-7-5-11-17(19)20/h2-15H,1H3,(H2,27,28,29,30,31)
InChIKeyMRKNAQVOJSUZSE-UHFFFAOYSA-N
XLogP4.95
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 60613288
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 56552567
5-chloro-2-fluoro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 86980358
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55851335
N'-(2-methoxybenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 6734416
methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 1012430
1-[2-[4-(2-methoxyphenyl)phenyl]quinolin-4-yl]ethanone
CID 145465068
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 1257051
5-(4-chlorophenyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1H-pyrazole-4-carboxamide
CID 56508879
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7923987
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 1328482

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylquinoline-4-carboxamide (CID 55646004) is N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylquinoline-4-carboxamide is COc1ccccc1-c1nc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n[nH]1.
What is the InChIKey of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylquinoline-4-carboxamide?
The InChIKey is MRKNAQVOJSUZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O2/c1-32-22-14-8-6-12-18(22)23-27-25(30-29-23)28-24(31)19-15-21(16-9-3-2-4-10-16)26-20-13-7-5-11-17(19)20/h2-15H,1H3,(H2,27,28,29,30,31).
What are the key properties of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylquinoline-4-carboxamide?
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylquinoline-4-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 55646004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).