4,6,7-trimethoxy-2-phenylquinazoline

• ChemBase ID: 191763
• Molecular Formular: C17H16N2O3
• Molecular Mass: 296.32054
• Monoisotopic Mass: 296.11609238
• SMILES: n1c(nc2c(c1OC)cc(c(c2)OC)OC)c1ccccc1
• Canonical SMILES: COc1nc(nc2c1cc(OC)c(c2)OC)c1ccccc1
• InChI: InChI=1S/C17H16N2O3/c1-20-14-9-12-13(10-15(14)21-2)18-16(19-17(12)22-3)11-7-5-4-6-8-11/h4-10H,1-3H3
• InChIKey: KATWAKPELCXKAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6,7-trimethoxy-2-phenylquinazoline
• IUPAC Traditional name: 4,6,7-trimethoxy-2-phenylquinazoline

Database IDs

• PubChem SID: 164247673
• PubChem CID: 905952

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.8208237
• LogD (pH = 7.4): 3.8241258
• Log P: 3.824168
• Molar Refractivity: 93.9147 cm^3
• Polarizability: 33.89609 Å^3
• Polar Surface Area: 53.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds