6,7-dimethoxyquinazoline-2,4-diol

• ChemBase ID: 119319
• Molecular Formular: C10H10N2O4
• Molecular Mass: 222.1974
• Monoisotopic Mass: 222.06405681
• SMILES: n1c(c2c(nc1O)cc(c(c2)OC)OC)O
• Canonical SMILES: COc1cc2nc(O)nc(c2cc1OC)O
• InChI: InChI=1S/C10H10N2O4/c1-15-7-3-5-6(4-8(7)16-2)11-10(14)12-9(5)13/h3-4H,1-2H3,(H2,11,12,13,14)
• InChIKey: KWNQIIMVPSMYEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxyquinazoline-2,4-diol
• IUPAC Traditional name: 6,7-dimethoxyquinazoline-2,4-diol
• Synonyms: 6,7-dimethoxyquinazoline-2,4-diol

Database IDs

• PubChem SID: 162107496
• PubChem CID: 120081

CALCULATED PROPERTIES

• Acid pKa: 12.613326
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.7758328
• LogD (pH = 7.4): 1.7758303
• Log P: 1.7758329
• Molar Refractivity: 55.9482 cm^3
• Polarizability: 22.328007 Å^3
• Polar Surface Area: 84.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds