2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-N-[2-(2-methoxyphenyl)ethyl]quinazolin-4-amine

• ChemBase ID: 194432
• Molecular Formular: C28H31N3O5
• Molecular Mass: 489.56284
• Monoisotopic Mass: 489.22637111
• SMILES: n1c(nc2c(c1NCCc1c(OC)cccc1)cc(c(c2)OCC)OC)c1cc(c(cc1)OC)OC
• Canonical SMILES: CCOc1cc2nc(nc(c2cc1OC)NCCc1ccccc1OC)c1ccc(c(c1)OC)OC
• InChI: InChI=1S/C28H31N3O5/c1-6-36-26-17-21-20(16-25(26)35-5)28(29-14-13-18-9-7-8-10-22(18)32-2)31-27(30-21)19-11-12-23(33-3)24(15-19)34-4/h7-12,15-17H,6,13-14H2,1-5H3,(H,29,30,31)
• InChIKey: FFYXEIZRPGBUFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250342
• PubChem CID: 3741080

CALCULATED PROPERTIES

• H Acceptors: 8
• H Donor: 1
• LogD (pH = 5.5): 4.9604077
• LogD (pH = 7.4): 5.330928
• Log P: 5.338537
• Molar Refractivity: 151.1511 cm^3
• Polarizability: 55.090195 Å^3
• Polar Surface Area: 83.96 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds