6,7-dimethoxy-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine

• ChemBase ID: 223591
• Molecular Formular: C18H19N3O3
• Molecular Mass: 325.36176
• Monoisotopic Mass: 325.14264148
• SMILES: c12c(ncnc1cc(c(c2)OC)OC)NCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CNc1ncnc2c1cc(OC)c(c2)OC
• InChI: InChI=1S/C18H19N3O3/c1-22-13-6-4-12(5-7-13)10-19-18-14-8-16(23-2)17(24-3)9-15(14)20-11-21-18/h4-9,11H,10H2,1-3H3,(H,19,20,21)
• InChIKey: ZEBFLWZYDDDVIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
• IUPAC Traditional name: 6,7-dimethoxy-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine

Database IDs

• PubChem SID: 164279501
• PubChem CID: 1490243

CALCULATED PROPERTIES

• Acid pKa: 19.23322
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.4603415
• LogD (pH = 7.4): 2.7386892
• Log P: 2.7437575
• Molar Refractivity: 93.31 cm^3
• Polarizability: 36.16741 Å^3
• Polar Surface Area: 65.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds