2-methoxy-6-nitro-4-quinoxalin-2-ylphenol

C15H11N3O4 — CID 135665324

IUPAC2-methoxy-6-nitro-4-quinoxalin-2-ylphenol
SMILESCOc1cc(-c2cnc3ccccc3n2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H11N3O4/c1-22-14-7-9(6-13(15(14)19)18(20)21)12-8-16-10-4-2-3-5-11(10)17-12/h2-8,19H,1H3
InChIKeyWGKZNIWUIVCEEM-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.92
Rot. Bonds3

About 2-methoxy-6-nitro-4-quinoxalin-2-ylphenol

2-methoxy-6-nitro-4-quinoxalin-2-ylphenol (PubChem CID 135665324) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-methoxy-6-nitro-4-quinoxalin-2-ylphenol.

Molecular Properties

Compound Name2-methoxy-6-nitro-4-quinoxalin-2-ylphenol
PubChem CID135665324
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name2-methoxy-6-nitro-4-quinoxalin-2-ylphenol
SMILESCOc1cc(-c2cnc3ccccc3n2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H11N3O4/c1-22-14-7-9(6-13(15(14)19)18(20)21)12-8-16-10-4-2-3-5-11(10)17-12/h2-8,19H,1H3
InChIKeyWGKZNIWUIVCEEM-UHFFFAOYSA-N
XLogP2.92
TPSA98.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methoxy-6-nitro-4-quinoxalin-2-ylphenol 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

bis[2-(4-hydroxy-3-methoxy-5-nitrophenyl)-4-pyridinyl]methanone
CID 154492617
2-(3,5-dimethoxyphenyl)quinoxaline
CID 102112241
methyl 3-nitro-5-quinoxalin-2-ylbenzoate
CID 140893610
4-(4-aminophenyl)-2-methoxy-6-nitrophenol
CID 116987628
1-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-methyl-2-phenylpropan-1-one
CID 11045278
2-[4-(azepan-1-yl)-3-nitrophenyl]quinoxaline
CID 2913551
2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)-3-nitrophenyl]quinoxaline
CID 19616447
4-fluoro-2-methoxy-6-nitrophenol
CID 134392027
(4-hydroxy-3-methoxy-5-nitrophenyl)-(2-methylphenyl)methanone
CID 21458993
1-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-phenylpropan-1-one
CID 10924608
4-methyl-N-(2-methyl-5-quinoxalin-2-ylphenyl)-3-nitrobenzamide
CID 2990029
2-(4-hydroxy-3-methoxy-5-nitrobenzoyl)benzonitrile
CID 21459123

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-nitro-4-quinoxalin-2-ylphenol?
The IUPAC name of 2-methoxy-6-nitro-4-quinoxalin-2-ylphenol (CID 135665324) is 2-methoxy-6-nitro-4-quinoxalin-2-ylphenol.
What is the SMILES notation for 2-methoxy-6-nitro-4-quinoxalin-2-ylphenol?
The canonical SMILES for 2-methoxy-6-nitro-4-quinoxalin-2-ylphenol is COc1cc(-c2cnc3ccccc3n2)cc([N+](=O)[O-])c1O.
What is the InChIKey of 2-methoxy-6-nitro-4-quinoxalin-2-ylphenol?
The InChIKey is WGKZNIWUIVCEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c1-22-14-7-9(6-13(15(14)19)18(20)21)12-8-16-10-4-2-3-5-11(10)17-12/h2-8,19H,1H3.
What are the key properties of 2-methoxy-6-nitro-4-quinoxalin-2-ylphenol?
2-methoxy-6-nitro-4-quinoxalin-2-ylphenol has a molecular weight of 297.27 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-nitro-4-quinoxalin-2-ylphenol is sourced from PubChem (CID 135665324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).