6-methoxyquinazolin-4-ol

• ChemBase ID: 294290
• Molecular Formular: C9H8N2O2
• Molecular Mass: 176.17202
• Monoisotopic Mass: 176.05857751
• SMILES: Oc1c2cc(OC)ccc2ncn1
• Canonical SMILES: COc1ccc2c(c1)c(O)ncn2
• InChI: InChI=1S/C9H8N2O2/c1-13-6-2-3-8-7(4-6)9(12)11-5-10-8/h2-5H,1H3,(H,10,11,12)
• InChIKey: NOFVNLZQAOGUIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxyquinazolin-4-ol
• IUPAC Traditional name: 6-methoxyquinazolin-4-ol
• Synonyms: 6-Methoxyquinazolin-4-ol

Database IDs

• CAS Number: 19181-64-7
• MDL Number: MFCD06657614
• PubChem SID: 180679821
• PubChem CID: 10797358

CALCULATED PROPERTIES

• Acid pKa: 12.853911
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.558279
• LogD (pH = 7.4): 1.5582819
• Log P: 1.5582834
• Molar Refractivity: 47.5581 cm^3
• Polarizability: 19.172615 Å^3
• Polar Surface Area: 55.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%