N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-4-amine

• ChemBase ID: 223395
• Molecular Formular: C20H23N3O4
• Molecular Mass: 369.41432
• Monoisotopic Mass: 369.16885623
• SMILES: c12c(cc(c(c1)OC)OC)ncnc2NCCc1cc(c(cc1)OC)OC
• Canonical SMILES: COc1ccc(cc1OC)CCNc1ncnc2c1cc(OC)c(c2)OC
• InChI: InChI=1S/C20H23N3O4/c1-24-16-6-5-13(9-17(16)25-2)7-8-21-20-14-10-18(26-3)19(27-4)11-15(14)22-12-23-20/h5-6,9-12H,7-8H2,1-4H3,(H,21,22,23)
• InChIKey: QECYXZZAYWHQKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-4-amine
• IUPAC Traditional name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-4-amine

Database IDs

• PubChem SID: 164279305
• PubChem CID: 1490260

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 2.5737052
• LogD (pH = 7.4): 2.8692377
• Log P: 2.8747475
• Molar Refractivity: 104.5282 cm^3
• Polarizability: 40.450977 Å^3
• Polar Surface Area: 74.73 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds