6,7-dimethylquinoxaline-2,3-diol

• ChemBase ID: 75270
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: n1c(c(nc2cc(c(cc12)C)C)O)O
• Canonical SMILES: Cc1cc2nc(O)c(nc2cc1C)O
• InChI: InChI=1S/C10H10N2O2/c1-5-3-7-8(4-6(5)2)12-10(14)9(13)11-7/h3-4H,1-2H3,(H,11,13)(H,12,14)
• InChIKey: HRVPYGLZESQRKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 2474-50-2
• MDL Number: MFCD00085437
• PubChem SID: 162040188
• PubChem CID: 247670

CALCULATED PROPERTIES

• Acid pKa: 11.545329
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.9077044
• LogD (pH = 7.4): 2.9076748
• Log P: 2.9077055
• Molar Refractivity: 52.1216 cm^3
• Polarizability: 20.79203 Å^3
• Polar Surface Area: 66.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true