7-methoxyquinazoline

• ChemBase ID: 246159
• Molecular Formular: C9H8N2O
• Molecular Mass: 160.17262
• Monoisotopic Mass: 160.06366289
• SMILES: c12cc(ccc2cncn1)OC
• Canonical SMILES: COc1ccc2c(c1)ncnc2
• InChI: InChI=1S/C9H8N2O/c1-12-8-3-2-7-5-10-6-11-9(7)4-8/h2-6H,1H3
• InChIKey: CHRMMMLUWHPZAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxyquinazoline
• IUPAC Traditional name: 7-methoxyquinazoline
• Synonyms: 7-methoxyquinazoline

Database IDs

• MDL Number: MFCD18378811
• PubChem SID: 164302069
• PubChem CID: 12213273

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.266357
• LogD (pH = 7.4): 1.2673782
• Log P: 1.2673913
• Molar Refractivity: 45.2637 cm^3
• Polarizability: 18.584875 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83 - 85°C
• Hydrophobicity(logP): 1.464

Product Information

• Purity: 95%