N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenyl-1H-1,2,4-triazole-5-carboxamide

C19H15N5O2 — CID 2992297

IUPACN-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenyl-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(c1ncn[nH]1)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C19H15N5O2/c25-18-14(10-13-6-4-5-9-16(13)22-18)11-24(15-7-2-1-3-8-15)19(26)17-20-12-21-23-17/h1-10,12H,11H2,(H,22,25)(H,20,21,23)
InChIKeySQTAGAVIQWTMCP-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.49
Rot. Bonds4

About N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenyl-1H-1,2,4-triazole-5-carboxamide

N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenyl-1H-1,2,4-triazole-5-carboxamide (PubChem CID 2992297) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenyl-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenyl-1H-1,2,4-triazole-5-carboxamide
PubChem CID2992297
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC NameN-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenyl-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(c1ncn[nH]1)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C19H15N5O2/c25-18-14(10-13-6-4-5-9-16(13)22-18)11-24(15-7-2-1-3-8-15)19(26)17-20-12-21-23-17/h1-10,12H,11H2,(H,22,25)(H,20,21,23)
InChIKeySQTAGAVIQWTMCP-UHFFFAOYSA-N
XLogP2.49
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenyl-1H-1,2,4-triazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenyl-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenyl-1H-1,2,4-triazole-5-carboxamide (CID 2992297) is N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenyl-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenyl-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenyl-1H-1,2,4-triazole-5-carboxamide is O=C(c1ncn[nH]1)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1.
What is the InChIKey of N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenyl-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is SQTAGAVIQWTMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c25-18-14(10-13-6-4-5-9-16(13)22-18)11-24(15-7-2-1-3-8-15)19(26)17-20-12-21-23-17/h1-10,12H,11H2,(H,22,25)(H,20,21,23).
What are the key properties of N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenyl-1H-1,2,4-triazole-5-carboxamide?
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenyl-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-phenyl-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 2992297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).