quinazolin-7-ol

• ChemBase ID: 246669
• Molecular Formular: C8H6N2O
• Molecular Mass: 146.14604
• Monoisotopic Mass: 146.04801282
• SMILES: c12cc(ccc2cncn1)O
• Canonical SMILES: Oc1ccc2c(c1)ncnc2
• InChI: InChI=1S/C8H6N2O/c11-7-2-1-6-4-9-5-10-8(6)3-7/h1-5,11H
• InChIKey: BWDCBBZUYJDNJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinazolin-7-ol
• IUPAC Traditional name: quinazolin-7-ol
• Synonyms: quinazolin-7-ol

Database IDs

• CAS Number: 7556-97-0
• MDL Number: MFCD10697886
• PubChem SID: 164302579
• PubChem CID: 589644

CALCULATED PROPERTIES

• Acid pKa: 8.46817
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1198386
• LogD (pH = 7.4): 1.0861049
• Log P: 1.1214973
• Molar Refractivity: 40.7814 cm^3
• Polarizability: 16.664387 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 216 - 218°C
• Hydrophobicity(logP): 1.371

Product Information

• Purity: 95%; 98%