2-(4-nitrophenoxy)quinoxaline

C14H9N3O3 — CID 3714373

IUPAC2-(4-nitrophenoxy)quinoxaline
SMILESO=[N+]([O-])c1ccc(Oc2cnc3ccccc3n2)cc1
InChIInChI=1S/C14H9N3O3/c18-17(19)10-5-7-11(8-6-10)20-14-9-15-12-3-1-2-4-13(12)16-14/h1-9H
InChIKeyRZNQBDUFQHFIRM-UHFFFAOYSA-N
MW267.24 g/mol
LogP3.33
Rot. Bonds3

About 2-(4-nitrophenoxy)quinoxaline

2-(4-nitrophenoxy)quinoxaline (PubChem CID 3714373) has the molecular formula C14H9N3O3 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)quinoxaline.

Molecular Properties

Compound Name2-(4-nitrophenoxy)quinoxaline
PubChem CID3714373
Molecular FormulaC14H9N3O3
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC Name2-(4-nitrophenoxy)quinoxaline
SMILESO=[N+]([O-])c1ccc(Oc2cnc3ccccc3n2)cc1
InChIInChI=1S/C14H9N3O3/c18-17(19)10-5-7-11(8-6-10)20-14-9-15-12-3-1-2-4-13(12)16-14/h1-9H
InChIKeyRZNQBDUFQHFIRM-UHFFFAOYSA-N
XLogP3.33
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-nitrophenoxy)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-(4-nitrophenoxy)quinoxaline?
The IUPAC name of 2-(4-nitrophenoxy)quinoxaline (CID 3714373) is 2-(4-nitrophenoxy)quinoxaline.
What is the SMILES notation for 2-(4-nitrophenoxy)quinoxaline?
The canonical SMILES for 2-(4-nitrophenoxy)quinoxaline is O=[N+]([O-])c1ccc(Oc2cnc3ccccc3n2)cc1.
What is the InChIKey of 2-(4-nitrophenoxy)quinoxaline?
The InChIKey is RZNQBDUFQHFIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3/c18-17(19)10-5-7-11(8-6-10)20-14-9-15-12-3-1-2-4-13(12)16-14/h1-9H.
What are the key properties of 2-(4-nitrophenoxy)quinoxaline?
2-(4-nitrophenoxy)quinoxaline has a molecular weight of 267.24 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)quinoxaline is sourced from PubChem (CID 3714373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).