2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-propan-2-ylacetamide

C20H19N5O3 — CID 53028582

IUPAC2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1nc2c(Oc3ccccc3)nc3ccccc3n2c1=O
InChIInChI=1S/C20H19N5O3/c1-13(2)21-17(26)12-24-20(27)25-16-11-7-6-10-15(16)22-19(18(25)23-24)28-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,21,26)
InChIKeyHQGKCFHDSKYARY-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.36
Rot. Bonds5

About 2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-propan-2-ylacetamide

2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-propan-2-ylacetamide (PubChem CID 53028582) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-propan-2-ylacetamide
PubChem CID53028582
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1nc2c(Oc3ccccc3)nc3ccccc3n2c1=O
InChIInChI=1S/C20H19N5O3/c1-13(2)21-17(26)12-24-20(27)25-16-11-7-6-10-15(16)22-19(18(25)23-24)28-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,21,26)
InChIKeyHQGKCFHDSKYARY-UHFFFAOYSA-N
XLogP2.36
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-propan-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

Related Compounds

N-(2-methylphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 53028534
N-(2,6-dimethylphenyl)-2-[1-oxo-4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 53028524
N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 53028554
N-(2,4-difluorophenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 53028565
N-(4-acetamidophenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 53028465
N-(4-ethylphenyl)-2-[1-oxo-4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 53028518
N-(3-cyanophenyl)-2-[1-oxo-4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 53028522
N-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 53028451
N-(4-butylphenyl)-2-[4-(4-fluorophenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 53028588
2-[4-(3,5-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-(4-ethoxyphenyl)acetamide
CID 45498370
2-[4-(2,3-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 53028604
N-(2,5-dimethoxyphenyl)-2-[4-(2,3-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 53028602

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-propan-2-ylacetamide (CID 53028582) is 2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1nc2c(Oc3ccccc3)nc3ccccc3n2c1=O.
What is the InChIKey of 2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-propan-2-ylacetamide?
The InChIKey is HQGKCFHDSKYARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-13(2)21-17(26)12-24-20(27)25-16-11-7-6-10-15(16)22-19(18(25)23-24)28-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H,21,26).
What are the key properties of 2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-propan-2-ylacetamide?
2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-propan-2-ylacetamide has a molecular weight of 377.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 53028582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).