6,7-dimethoxyquinoxaline-2,3-diol

• ChemBase ID: 75269
• Molecular Formular: C10H10N2O4
• Molecular Mass: 222.1974
• Monoisotopic Mass: 222.06405681
• SMILES: n1c(c(nc2cc(c(cc12)OC)OC)O)O
• Canonical SMILES: COc1cc2nc(O)c(nc2cc1OC)O
• InChI: InChI=1S/C10H10N2O4/c1-15-7-3-5-6(4-8(7)16-2)12-10(14)9(13)11-5/h3-4H,1-2H3,(H,11,13)(H,12,14)
• InChIKey: AVEIMNFUPXGCJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxyquinoxaline-2,3-diol
• IUPAC Traditional name: 6,7-dimethoxyquinoxaline-2,3-diol
• Synonyms: 2,3-Dihydroxy-6,7-dimethoxyquinoxaline

Database IDs

• CAS Number: 4784-02-5
• MDL Number: MFCD04038944
• PubChem SID: 162040187
• PubChem CID: 613780

CALCULATED PROPERTIES

• Acid pKa: 11.583463
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.5655189
• LogD (pH = 7.4): 1.5654922
• Log P: 1.5655203
• Molar Refractivity: 54.9656 cm^3
• Polarizability: 22.328852 Å^3
• Polar Surface Area: 84.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true