3-(2-methoxy-5-nitrophenyl)-2-phenylbenzo[g]quinoxaline

C25H17N3O3 — CID 23988493

IUPAC3-(2-methoxy-5-nitrophenyl)-2-phenylbenzo[g]quinoxaline
SMILESCOc1ccc([N+](=O)[O-])cc1-c1nc2cc3ccccc3cc2nc1-c1ccccc1
InChIInChI=1S/C25H17N3O3/c1-31-23-12-11-19(28(29)30)15-20(23)25-24(16-7-3-2-4-8-16)26-21-13-17-9-5-6-10-18(17)14-22(21)27-25/h2-15H,1H3
InChIKeyDXYLQUAUHMBKDR-UHFFFAOYSA-N
MW407.43 g/mol
LogP6.03
Rot. Bonds4

About 3-(2-methoxy-5-nitrophenyl)-2-phenylbenzo[g]quinoxaline

3-(2-methoxy-5-nitrophenyl)-2-phenylbenzo[g]quinoxaline (PubChem CID 23988493) has the molecular formula C25H17N3O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is 3-(2-methoxy-5-nitrophenyl)-2-phenylbenzo[g]quinoxaline.

Molecular Properties

Compound Name3-(2-methoxy-5-nitrophenyl)-2-phenylbenzo[g]quinoxaline
PubChem CID23988493
Molecular FormulaC25H17N3O3
Molecular Weight407.43 g/mol
Exact Mass407.13
IUPAC Name3-(2-methoxy-5-nitrophenyl)-2-phenylbenzo[g]quinoxaline
SMILESCOc1ccc([N+](=O)[O-])cc1-c1nc2cc3ccccc3cc2nc1-c1ccccc1
InChIInChI=1S/C25H17N3O3/c1-31-23-12-11-19(28(29)30)15-20(23)25-24(16-7-3-2-4-8-16)26-21-13-17-9-5-6-10-18(17)14-22(21)27-25/h2-15H,1H3
InChIKeyDXYLQUAUHMBKDR-UHFFFAOYSA-N
XLogP6.03
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.43
LogP ≤ 56.03
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-(2-methoxy-5-nitrophenyl)-2-phenylbenzo[g]quinoxaline 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

2-(3,5-dimethoxyphenyl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole
CID 3135745
2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole
CID 2859398
6,7-dimethoxy-2,3-diphenylquinoxaline
CID 1236458
3-methoxy-2-(3-nitrophenyl)-6-phenylpyridine
CID 11077630
3-(3-nitrophenyl)-6-[3-(3-nitrophenyl)-2-phenylquinoxalin-6-yl]-2-phenylquinoxaline
CID 59800540
2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline
CID 632059
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770
2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene
CID 11550497
2-(7-methoxy-1,3-benzodioxol-5-yl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole
CID 1333027
4-[5-nitro-2-(3-nitrophenoxy)phenyl]-2-phenylquinazoline
CID 2179824
4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine
CID 15453442
2,3-bis(4-methylphenyl)-6-nitroquinoxaline
CID 2970023

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-nitrophenyl)-2-phenylbenzo[g]quinoxaline?
The IUPAC name of 3-(2-methoxy-5-nitrophenyl)-2-phenylbenzo[g]quinoxaline (CID 23988493) is 3-(2-methoxy-5-nitrophenyl)-2-phenylbenzo[g]quinoxaline.
What is the SMILES notation for 3-(2-methoxy-5-nitrophenyl)-2-phenylbenzo[g]quinoxaline?
The canonical SMILES for 3-(2-methoxy-5-nitrophenyl)-2-phenylbenzo[g]quinoxaline is COc1ccc([N+](=O)[O-])cc1-c1nc2cc3ccccc3cc2nc1-c1ccccc1.
What is the InChIKey of 3-(2-methoxy-5-nitrophenyl)-2-phenylbenzo[g]quinoxaline?
The InChIKey is DXYLQUAUHMBKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O3/c1-31-23-12-11-19(28(29)30)15-20(23)25-24(16-7-3-2-4-8-16)26-21-13-17-9-5-6-10-18(17)14-22(21)27-25/h2-15H,1H3.
What are the key properties of 3-(2-methoxy-5-nitrophenyl)-2-phenylbenzo[g]quinoxaline?
3-(2-methoxy-5-nitrophenyl)-2-phenylbenzo[g]quinoxaline has a molecular weight of 407.43 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-nitrophenyl)-2-phenylbenzo[g]quinoxaline is sourced from PubChem (CID 23988493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).