4-(2,3-dimethylphenoxy)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

C17H14N4O2 — CID 46507230

IUPAC4-(2,3-dimethylphenoxy)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESCc1cccc(Oc2nc3ccccc3n3c(=O)[nH]nc23)c1C
InChIInChI=1S/C17H14N4O2/c1-10-6-5-9-14(11(10)2)23-16-15-19-20-17(22)21(15)13-8-4-3-7-12(13)18-16/h3-9H,1-2H3,(H,20,22)
InChIKeyRJSALKJVPVHYCK-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.98
Rot. Bonds2

About 4-(2,3-dimethylphenoxy)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

4-(2,3-dimethylphenoxy)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (PubChem CID 46507230) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-(2,3-dimethylphenoxy)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.

Molecular Properties

Compound Name4-(2,3-dimethylphenoxy)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
PubChem CID46507230
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name4-(2,3-dimethylphenoxy)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESCc1cccc(Oc2nc3ccccc3n3c(=O)[nH]nc23)c1C
InChIInChI=1S/C17H14N4O2/c1-10-6-5-9-14(11(10)2)23-16-15-19-20-17(22)21(15)13-8-4-3-7-12(13)18-16/h3-9H,1-2H3,(H,20,22)
InChIKeyRJSALKJVPVHYCK-UHFFFAOYSA-N
XLogP2.98
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,3-dimethylphenoxy)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one 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 4-(2,3-dimethylphenoxy)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The IUPAC name of 4-(2,3-dimethylphenoxy)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (CID 46507230) is 4-(2,3-dimethylphenoxy)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.
What is the SMILES notation for 4-(2,3-dimethylphenoxy)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The canonical SMILES for 4-(2,3-dimethylphenoxy)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is Cc1cccc(Oc2nc3ccccc3n3c(=O)[nH]nc23)c1C.
What is the InChIKey of 4-(2,3-dimethylphenoxy)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The InChIKey is RJSALKJVPVHYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-10-6-5-9-14(11(10)2)23-16-15-19-20-17(22)21(15)13-8-4-3-7-12(13)18-16/h3-9H,1-2H3,(H,20,22).
What are the key properties of 4-(2,3-dimethylphenoxy)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
4-(2,3-dimethylphenoxy)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one has a molecular weight of 306.33 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenoxy)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is sourced from PubChem (CID 46507230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).