2-(1,3-benzodioxol-5-yl)quinoxaline

C15H10N2O2 — CID 39776102

IUPAC2-(1,3-benzodioxol-5-yl)quinoxaline
SMILESc1ccc2nc(-c3ccc4c(c3)OCO4)cnc2c1
InChIInChI=1S/C15H10N2O2/c1-2-4-12-11(3-1)16-8-13(17-12)10-5-6-14-15(7-10)19-9-18-14/h1-8H,9H2
InChIKeyYALFPXMVZCUZHX-UHFFFAOYSA-N
MW250.26 g/mol
LogP3.03
Rot. Bonds1

About 2-(1,3-benzodioxol-5-yl)quinoxaline

2-(1,3-benzodioxol-5-yl)quinoxaline (PubChem CID 39776102) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)quinoxaline.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)quinoxaline
PubChem CID39776102
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name2-(1,3-benzodioxol-5-yl)quinoxaline
SMILESc1ccc2nc(-c3ccc4c(c3)OCO4)cnc2c1
InChIInChI=1S/C15H10N2O2/c1-2-4-12-11(3-1)16-8-13(17-12)10-5-6-14-15(7-10)19-9-18-14/h1-8H,9H2
InChIKeyYALFPXMVZCUZHX-UHFFFAOYSA-N
XLogP3.03
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-benzodioxol-5-yl)quinoxaline 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-(1,3-benzodioxol-5-yl)quinoxaline?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)quinoxaline (CID 39776102) is 2-(1,3-benzodioxol-5-yl)quinoxaline.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)quinoxaline?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)quinoxaline is c1ccc2nc(-c3ccc4c(c3)OCO4)cnc2c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)quinoxaline?
The InChIKey is YALFPXMVZCUZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c1-2-4-12-11(3-1)16-8-13(17-12)10-5-6-14-15(7-10)19-9-18-14/h1-8H,9H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)quinoxaline?
2-(1,3-benzodioxol-5-yl)quinoxaline has a molecular weight of 250.26 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)quinoxaline is sourced from PubChem (CID 39776102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).