3-(4-chlorophenyl)-2-(4-methylphenyl)benzo[g]quinoxaline-5,10-dione

C25H15ClN2O2 — CID 138484311

IUPAC3-(4-chlorophenyl)-2-(4-methylphenyl)benzo[g]quinoxaline-5,10-dione
SMILESCc1ccc(-c2nc3c(nc2-c2ccc(Cl)cc2)C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C25H15ClN2O2/c1-14-6-8-15(9-7-14)20-21(16-10-12-17(26)13-11-16)28-23-22(27-20)24(29)18-4-2-3-5-19(18)25(23)30/h2-13H,1H3
InChIKeyQVXWROCYINEAMC-UHFFFAOYSA-N
MW410.86 g/mol
LogP5.55
Rot. Bonds2

About 3-(4-chlorophenyl)-2-(4-methylphenyl)benzo[g]quinoxaline-5,10-dione

3-(4-chlorophenyl)-2-(4-methylphenyl)benzo[g]quinoxaline-5,10-dione (PubChem CID 138484311) has the molecular formula C25H15ClN2O2 and a molecular weight of 410.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(4-methylphenyl)benzo[g]quinoxaline-5,10-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(4-methylphenyl)benzo[g]quinoxaline-5,10-dione
PubChem CID138484311
Molecular FormulaC25H15ClN2O2
Molecular Weight410.86 g/mol
Exact Mass410.08
IUPAC Name3-(4-chlorophenyl)-2-(4-methylphenyl)benzo[g]quinoxaline-5,10-dione
SMILESCc1ccc(-c2nc3c(nc2-c2ccc(Cl)cc2)C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C25H15ClN2O2/c1-14-6-8-15(9-7-14)20-21(16-10-12-17(26)13-11-16)28-23-22(27-20)24(29)18-4-2-3-5-19(18)25(23)30/h2-13H,1H3
InChIKeyQVXWROCYINEAMC-UHFFFAOYSA-N
XLogP5.55
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.86
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(4-methylphenyl)benzo[g]quinoxaline-5,10-dione?
The IUPAC name of 3-(4-chlorophenyl)-2-(4-methylphenyl)benzo[g]quinoxaline-5,10-dione (CID 138484311) is 3-(4-chlorophenyl)-2-(4-methylphenyl)benzo[g]quinoxaline-5,10-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(4-methylphenyl)benzo[g]quinoxaline-5,10-dione?
The canonical SMILES for 3-(4-chlorophenyl)-2-(4-methylphenyl)benzo[g]quinoxaline-5,10-dione is Cc1ccc(-c2nc3c(nc2-c2ccc(Cl)cc2)C(=O)c2ccccc2C3=O)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(4-methylphenyl)benzo[g]quinoxaline-5,10-dione?
The InChIKey is QVXWROCYINEAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClN2O2/c1-14-6-8-15(9-7-14)20-21(16-10-12-17(26)13-11-16)28-23-22(27-20)24(29)18-4-2-3-5-19(18)25(23)30/h2-13H,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-(4-methylphenyl)benzo[g]quinoxaline-5,10-dione?
3-(4-chlorophenyl)-2-(4-methylphenyl)benzo[g]quinoxaline-5,10-dione has a molecular weight of 410.86 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(4-methylphenyl)benzo[g]quinoxaline-5,10-dione is sourced from PubChem (CID 138484311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).