2,3-bis(4-methylphenyl)-6-nitroquinoxaline

C22H17N3O2 — CID 2970023

IUPAC2,3-bis(4-methylphenyl)-6-nitroquinoxaline
SMILESCc1ccc(-c2nc3ccc([N+](=O)[O-])cc3nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H17N3O2/c1-14-3-7-16(8-4-14)21-22(17-9-5-15(2)6-10-17)24-20-13-18(25(26)27)11-12-19(20)23-21/h3-13H,1-2H3
InChIKeyRKLRTDQKICXLGM-UHFFFAOYSA-N
MW355.40 g/mol
LogP5.49
Rot. Bonds3

About 2,3-bis(4-methylphenyl)-6-nitroquinoxaline

2,3-bis(4-methylphenyl)-6-nitroquinoxaline (PubChem CID 2970023) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2,3-bis(4-methylphenyl)-6-nitroquinoxaline.

Molecular Properties

Compound Name2,3-bis(4-methylphenyl)-6-nitroquinoxaline
PubChem CID2970023
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name2,3-bis(4-methylphenyl)-6-nitroquinoxaline
SMILESCc1ccc(-c2nc3ccc([N+](=O)[O-])cc3nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H17N3O2/c1-14-3-7-16(8-4-14)21-22(17-9-5-15(2)6-10-17)24-20-13-18(25(26)27)11-12-19(20)23-21/h3-13H,1-2H3
InChIKeyRKLRTDQKICXLGM-UHFFFAOYSA-N
XLogP5.49
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.40
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
2-methyl-6-(4-nitrophenyl)phenanthridine
CID 11995600
2-(4-methylphenyl)-6-nitro-4-phenylquinazoline
CID 102342967
(E)-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-6-nitroquinoxalin-2-yl]-1-(4-methylphenyl)ethenol
CID 135403093
(Z)-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-6-nitroquinoxalin-2-yl]-1-(4-methylphenyl)ethenol
CID 135481380
3-ethyl-2-methyl-6-nitroquinoxaline
CID 142123651
1-hydroxy-2-(4-methylphenyl)-6-nitrobenzimidazole
CID 59754379
2-(1H-benzimidazol-2-yl)-3-(4-iodophenyl)-6-nitroquinoxaline
CID 102260736
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595
2-methyl-6-nitro-4-phenylquinazoline
CID 4662097
2-methyl-1-(4-methylphenyl)-5-nitrobenzimidazole
CID 622425

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methylphenyl)-6-nitroquinoxaline?
The IUPAC name of 2,3-bis(4-methylphenyl)-6-nitroquinoxaline (CID 2970023) is 2,3-bis(4-methylphenyl)-6-nitroquinoxaline.
What is the SMILES notation for 2,3-bis(4-methylphenyl)-6-nitroquinoxaline?
The canonical SMILES for 2,3-bis(4-methylphenyl)-6-nitroquinoxaline is Cc1ccc(-c2nc3ccc([N+](=O)[O-])cc3nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2,3-bis(4-methylphenyl)-6-nitroquinoxaline?
The InChIKey is RKLRTDQKICXLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-14-3-7-16(8-4-14)21-22(17-9-5-15(2)6-10-17)24-20-13-18(25(26)27)11-12-19(20)23-21/h3-13H,1-2H3.
What are the key properties of 2,3-bis(4-methylphenyl)-6-nitroquinoxaline?
2,3-bis(4-methylphenyl)-6-nitroquinoxaline has a molecular weight of 355.40 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methylphenyl)-6-nitroquinoxaline is sourced from PubChem (CID 2970023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).