6-(benzyloxy)-4-chloro-7-methoxyquinazoline

• ChemBase ID: 803781
• Molecular Formular: C16H13ClN2O2
• Molecular Mass: 300.73962
• Monoisotopic Mass: 300.06655535
• SMILES: c1(c(cc2ncnc(c2c1)Cl)OC)OCc1ccccc1
• Canonical SMILES: COc1cc2ncnc(c2cc1OCc1ccccc1)Cl
• InChI: InChI=1S/C16H13ClN2O2/c1-20-14-8-13-12(16(17)19-10-18-13)7-15(14)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3
• InChIKey: RQNQROBHHNEDMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(benzyloxy)-4-chloro-7-methoxyquinazoline
• IUPAC Traditional name: 6-(benzyloxy)-4-chloro-7-methoxyquinazoline
• Synonyms: 4-CHLORO-7-METHOXY-6-BENZYLOXYQUINAZOLINE

Database IDs

• CAS Number: 286371-65-1

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.6583672
• LogD (pH = 7.4): 3.6584144
• Log P: 3.658415
• Molar Refractivity: 82.2056 cm^3
• Polarizability: 32.609478 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%