2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-pyridin-2-ylacetamide

C18H15N5O2 — CID 16668885

IUPAC2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-pyridin-2-ylacetamide
SMILESCc1cc2ccccc2n2c(=O)n(CC(=O)Nc3ccccn3)nc12
InChIInChI=1S/C18H15N5O2/c1-12-10-13-6-2-3-7-14(13)23-17(12)21-22(18(23)25)11-16(24)20-15-8-4-5-9-19-15/h2-10H,11H2,1H3,(H,19,20,24)
InChIKeyYOUXTTIVTYHIGX-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.99
Rot. Bonds3

About 2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-pyridin-2-ylacetamide

2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-pyridin-2-ylacetamide (PubChem CID 16668885) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-pyridin-2-ylacetamide
PubChem CID16668885
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-pyridin-2-ylacetamide
SMILESCc1cc2ccccc2n2c(=O)n(CC(=O)Nc3ccccn3)nc12
InChIInChI=1S/C18H15N5O2/c1-12-10-13-6-2-3-7-14(13)23-17(12)21-22(18(23)25)11-16(24)20-15-8-4-5-9-19-15/h2-10H,11H2,1H3,(H,19,20,24)
InChIKeyYOUXTTIVTYHIGX-UHFFFAOYSA-N
XLogP1.99
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-pyridin-2-ylacetamide 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 2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-pyridin-2-ylacetamide (CID 16668885) is 2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-pyridin-2-ylacetamide is Cc1cc2ccccc2n2c(=O)n(CC(=O)Nc3ccccn3)nc12.
What is the InChIKey of 2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-pyridin-2-ylacetamide?
The InChIKey is YOUXTTIVTYHIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-12-10-13-6-2-3-7-14(13)23-17(12)21-22(18(23)25)11-16(24)20-15-8-4-5-9-19-15/h2-10H,11H2,1H3,(H,19,20,24).
What are the key properties of 2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-pyridin-2-ylacetamide?
2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-pyridin-2-ylacetamide has a molecular weight of 333.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 16668885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).