2,3-bis(3-nitrophenyl)quinoxaline

C20H12N4O4 — CID 71350595

IUPAC2,3-bis(3-nitrophenyl)quinoxaline
SMILESO=[N+]([O-])c1cccc(-c2nc3ccccc3nc2-c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C20H12N4O4/c25-23(26)15-7-3-5-13(11-15)19-20(14-6-4-8-16(12-14)24(27)28)22-18-10-2-1-9-17(18)21-19/h1-12H
InChIKeyXJEPHBIWCRKCJU-UHFFFAOYSA-N
MW372.34 g/mol
LogP4.78
Rot. Bonds4

About 2,3-bis(3-nitrophenyl)quinoxaline

2,3-bis(3-nitrophenyl)quinoxaline (PubChem CID 71350595) has the molecular formula C20H12N4O4 and a molecular weight of 372.34 g/mol. Its IUPAC name is 2,3-bis(3-nitrophenyl)quinoxaline.

Molecular Properties

Compound Name2,3-bis(3-nitrophenyl)quinoxaline
PubChem CID71350595
Molecular FormulaC20H12N4O4
Molecular Weight372.34 g/mol
Exact Mass372.09
IUPAC Name2,3-bis(3-nitrophenyl)quinoxaline
SMILESO=[N+]([O-])c1cccc(-c2nc3ccccc3nc2-c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C20H12N4O4/c25-23(26)15-7-3-5-13(11-15)19-20(14-6-4-8-16(12-14)24(27)28)22-18-10-2-1-9-17(18)21-19/h1-12H
InChIKeyXJEPHBIWCRKCJU-UHFFFAOYSA-N
XLogP4.78
TPSA112.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 54.78
H-Bond Donors ≤ 50
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'}

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Related Compounds

3-(3-nitrophenyl)-6-[3-(3-nitrophenyl)-2-phenylquinoxalin-6-yl]-2-phenylquinoxaline
CID 59800540
3-(3-nitrophenyl)-1H-quinoxalin-2-one
CID 129286598
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
3-(3-nitrophenyl)-1-prop-2-enylquinoxalin-2-one
CID 129286517
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
2-phenyl-3-(3-phenylphenyl)quinoxaline
CID 175058958
4-(3-nitrophenyl)quinoline-2-carboxamide
CID 70487298
formic acid;1-nitro-3-phenylbenzene
CID 158057338
3-methoxy-2-(3-nitrophenyl)-6-phenylpyridine
CID 11077630
3-fluoro-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 122403866
3,5-dichloro-2-methoxy-6-(3-nitrophenyl)pyridine
CID 121014556

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(3-nitrophenyl)quinoxaline?
The IUPAC name of 2,3-bis(3-nitrophenyl)quinoxaline (CID 71350595) is 2,3-bis(3-nitrophenyl)quinoxaline.
What is the SMILES notation for 2,3-bis(3-nitrophenyl)quinoxaline?
The canonical SMILES for 2,3-bis(3-nitrophenyl)quinoxaline is O=[N+]([O-])c1cccc(-c2nc3ccccc3nc2-c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 2,3-bis(3-nitrophenyl)quinoxaline?
The InChIKey is XJEPHBIWCRKCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O4/c25-23(26)15-7-3-5-13(11-15)19-20(14-6-4-8-16(12-14)24(27)28)22-18-10-2-1-9-17(18)21-19/h1-12H.
What are the key properties of 2,3-bis(3-nitrophenyl)quinoxaline?
2,3-bis(3-nitrophenyl)quinoxaline has a molecular weight of 372.34 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(3-nitrophenyl)quinoxaline is sourced from PubChem (CID 71350595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).