3-phenyl-1H,2H,5H,10H-benzo[g]quinoxaline-2,5,10-trione

• ChemBase ID: 181472
• Molecular Formular: C18H10N2O3
• Molecular Mass: 302.2836
• Monoisotopic Mass: 302.06914219
• SMILES: c12c([nH]c(=O)c(n1)c1ccccc1)C(=O)c1c(C2=O)cccc1
• Canonical SMILES: O=C1c2[nH]c(=O)c(nc2C(=O)c2c1cccc2)c1ccccc1
• InChI: InChI=1S/C18H10N2O3/c21-16-11-8-4-5-9-12(11)17(22)15-14(16)19-13(18(23)20-15)10-6-2-1-3-7-10/h1-9H,(H,20,23)
• InChIKey: JGIYRACXBRPHAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenyl-1H,2H,5H,10H-benzo[g]quinoxaline-2,5,10-trione
• IUPAC Traditional name: 3-phenyl-1H-benzo[g]quinoxaline-2,5,10-trione

Database IDs

• PubChem SID: 164237382
• PubChem CID: 927711

CALCULATED PROPERTIES

• Acid pKa: 7.6673517
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1181762
• LogD (pH = 7.4): 1.9591417
• Log P: 2.1207836
• Molar Refractivity: 85.5238 cm^3
• Polarizability: 31.297647 Å^3
• Polar Surface Area: 75.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds