6,7-dimethoxyquinazolin-4-ol

• ChemBase ID: 232599
• Molecular Formular: C10H10N2O3
• Molecular Mass: 206.198
• Monoisotopic Mass: 206.06914219
• SMILES: c12c(cc(c(c1)OC)OC)ncnc2O
• Canonical SMILES: COc1cc2c(O)ncnc2cc1OC
• InChI: InChI=1S/C10H10N2O3/c1-14-8-3-6-7(4-9(8)15-2)11-5-12-10(6)13/h3-5H,1-2H3,(H,11,12,13)
• InChIKey: DMSRMHGCZUXCMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxyquinazolin-4-ol
• IUPAC Traditional name: 6,7-dimethoxyquinazolin-4-ol
• Synonyms: 6,7-dimethoxyquinazolin-4-ol

Database IDs

• MDL Number: MFCD04618149
• PubChem SID: 164288509
• PubChem CID: 1501878

CALCULATED PROPERTIES

• Acid pKa: 12.973971
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.400598
• LogD (pH = 7.4): 1.4006109
• Log P: 1.4006122
• Molar Refractivity: 54.0213 cm^3
• Polarizability: 21.693604 Å^3
• Polar Surface Area: 64.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.45

Product Information

• Purity: 95%