(2-{[2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxyquinazolin-4-yl]amino}ethyl)diethylamine

• ChemBase ID: 194543
• Molecular Formular: C25H34N4O4
• Molecular Mass: 454.56186
• Monoisotopic Mass: 454.25800559
• SMILES: n1c(nc2c(c1NCCN(CC)CC)cc(c(c2)OCC)OC)c1cc(c(cc1)OC)OC
• Canonical SMILES: CCOc1cc2nc(nc(c2cc1OC)NCCN(CC)CC)c1ccc(c(c1)OC)OC
• InChI: InChI=1S/C25H34N4O4/c1-7-29(8-2)13-12-26-25-18-15-22(32-6)23(33-9-3)16-19(18)27-24(28-25)17-10-11-20(30-4)21(14-17)31-5/h10-11,14-16H,7-9,12-13H2,1-6H3,(H,26,27,28)
• InChIKey: DRZKTSGJWZDQBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{[2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxyquinazolin-4-yl]amino}ethyl)diethylamine
• IUPAC Traditional name: (2-{[2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxyquinazolin-4-yl]amino}ethyl)diethylamine

Database IDs

• PubChem SID: 164250453
• PubChem CID: 1748117

CALCULATED PROPERTIES

• H Acceptors: 8
• H Donor: 1
• LogD (pH = 5.5): 0.5236125
• LogD (pH = 7.4): 2.3173053
• Log P: 4.234916
• Molar Refractivity: 142.8366 cm^3
• Polarizability: 51.95044 Å^3
• Polar Surface Area: 77.97 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds