N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-quinoline-3-carboxamide

C19H15N5O2 — CID 46431770

IUPACN-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCn1cnnc1-c1cccc(NC(=O)c2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C19H15N5O2/c1-24-11-20-23-17(24)13-6-4-7-14(9-13)21-18(25)15-10-12-5-2-3-8-16(12)22-19(15)26/h2-11H,1H3,(H,21,25)(H,22,26)
InChIKeySXTFANYJMYINDO-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.58
Rot. Bonds3

About N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-quinoline-3-carboxamide

N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 46431770) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-quinoline-3-carboxamide
PubChem CID46431770
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC NameN-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-quinoline-3-carboxamide
SMILESCn1cnnc1-c1cccc(NC(=O)c2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C19H15N5O2/c1-24-11-20-23-17(24)13-6-4-7-14(9-13)21-18(25)15-10-12-5-2-3-8-16(12)22-19(15)26/h2-11H,1H3,(H,21,25)(H,22,26)
InChIKeySXTFANYJMYINDO-UHFFFAOYSA-N
XLogP2.58
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 38314118
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733395
2-bromo-5-fluoro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
CID 75401167
2-oxo-N-[3-(5H-tetrazol-5-yl)phenyl]-1H-quinoline-3-carboxamide
CID 25068582
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-propan-2-ylpyrimidine-5-carboxamide
CID 136577197
2-[methyl(phenyl)sulfamoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 78861771
1-(2-methoxyethyl)-6-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-oxopyridine-3-carboxamide
CID 136542631
3,5-dimethoxy-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 39263384
4-chloro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 43070910
2-bromo-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 114014321
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-1-prop-2-enylindole-3-carboxamide
CID 71886124
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-phenylprop-2-ynamide
CID 122137616

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-quinoline-3-carboxamide (CID 46431770) is N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-quinoline-3-carboxamide is Cn1cnnc1-c1cccc(NC(=O)c2cc3ccccc3[nH]c2=O)c1.
What is the InChIKey of N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is SXTFANYJMYINDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-24-11-20-23-17(24)13-6-4-7-14(9-13)21-18(25)15-10-12-5-2-3-8-16(12)22-19(15)26/h2-11H,1H3,(H,21,25)(H,22,26).
What are the key properties of N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-quinoline-3-carboxamide?
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 46431770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).