2-methylquinazolin-4-ol

• ChemBase ID: 294308
• Molecular Formular: C9H8N2O
• Molecular Mass: 160.17262
• Monoisotopic Mass: 160.06366289
• SMILES: Oc1c2ccccc2nc(C)n1
• Canonical SMILES: Cc1nc2ccccc2c(n1)O
• InChI: InChI=1S/C9H8N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H,1H3,(H,10,11,12)
• InChIKey: FIEYHAAMDAPVCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylquinazolin-4-ol
• IUPAC Traditional name: 2-methylquinazolin-4-ol
• Synonyms: 2-Methylquinazolin-4-ol

Database IDs

• CAS Number: 1769-24-0
• MDL Number: MFCD05270928
• PubChem SID: 180679839
• PubChem CID: 15674

CALCULATED PROPERTIES

• Acid pKa: 12.868363
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.28961
• LogD (pH = 7.4): 2.2896285
• Log P: 2.2896304
• Molar Refractivity: 45.7193 cm^3
• Polarizability: 18.434671 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%