2-(3,5-dinitrophenyl)-3-(2-phenylethyl)imidazo[4,5-b]quinoxaline

C23H16N6O4 — CID 1423235

IUPAC2-(3,5-dinitrophenyl)-3-(2-phenylethyl)imidazo[4,5-b]quinoxaline
SMILESO=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2CCc2ccccc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C23H16N6O4/c30-28(31)17-12-16(13-18(14-17)29(32)33)22-26-21-23(25-20-9-5-4-8-19(20)24-21)27(22)11-10-15-6-2-1-3-7-15/h1-9,12-14H,10-11H2
InChIKeyWLAPZCBPXKAQTR-UHFFFAOYSA-N
MW440.42 g/mol
LogP4.71
Rot. Bonds6

About 2-(3,5-dinitrophenyl)-3-(2-phenylethyl)imidazo[4,5-b]quinoxaline

2-(3,5-dinitrophenyl)-3-(2-phenylethyl)imidazo[4,5-b]quinoxaline (PubChem CID 1423235) has the molecular formula C23H16N6O4 and a molecular weight of 440.42 g/mol. Its IUPAC name is 2-(3,5-dinitrophenyl)-3-(2-phenylethyl)imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name2-(3,5-dinitrophenyl)-3-(2-phenylethyl)imidazo[4,5-b]quinoxaline
PubChem CID1423235
Molecular FormulaC23H16N6O4
Molecular Weight440.42 g/mol
Exact Mass440.12
IUPAC Name2-(3,5-dinitrophenyl)-3-(2-phenylethyl)imidazo[4,5-b]quinoxaline
SMILESO=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2CCc2ccccc2)cc([N+](=O)[O-])c1
InChIInChI=1S/C23H16N6O4/c30-28(31)17-12-16(13-18(14-17)29(32)33)22-26-21-23(25-20-9-5-4-8-19(20)24-21)27(22)11-10-15-6-2-1-3-7-15/h1-9,12-14H,10-11H2
InChIKeyWLAPZCBPXKAQTR-UHFFFAOYSA-N
XLogP4.71
TPSA129.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(3,5-dinitrophenyl)-3-(2-phenylethyl)imidazo[4,5-b]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-(3,5-dinitrophenyl)-3-(2-phenylethyl)imidazo[4,5-b]quinoxaline?
The IUPAC name of 2-(3,5-dinitrophenyl)-3-(2-phenylethyl)imidazo[4,5-b]quinoxaline (CID 1423235) is 2-(3,5-dinitrophenyl)-3-(2-phenylethyl)imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 2-(3,5-dinitrophenyl)-3-(2-phenylethyl)imidazo[4,5-b]quinoxaline?
The canonical SMILES for 2-(3,5-dinitrophenyl)-3-(2-phenylethyl)imidazo[4,5-b]quinoxaline is O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2CCc2ccccc2)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-(3,5-dinitrophenyl)-3-(2-phenylethyl)imidazo[4,5-b]quinoxaline?
The InChIKey is WLAPZCBPXKAQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6O4/c30-28(31)17-12-16(13-18(14-17)29(32)33)22-26-21-23(25-20-9-5-4-8-19(20)24-21)27(22)11-10-15-6-2-1-3-7-15/h1-9,12-14H,10-11H2.
What are the key properties of 2-(3,5-dinitrophenyl)-3-(2-phenylethyl)imidazo[4,5-b]quinoxaline?
2-(3,5-dinitrophenyl)-3-(2-phenylethyl)imidazo[4,5-b]quinoxaline has a molecular weight of 440.42 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dinitrophenyl)-3-(2-phenylethyl)imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 1423235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).