2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-4-{1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}quinazoline

• ChemBase ID: 194644
• Molecular Formular: C29H37N3O4
• Molecular Mass: 491.62178
• Monoisotopic Mass: 491.27840668
• SMILES: c1(N2C3CC(C2)(CC(C3)(C)C)C)nc(nc2c1cc(c(c2)OCC)OC)c1cc(c(cc1)OC)OC
• Canonical SMILES: CCOc1cc2nc(nc(c2cc1OC)N1CC2(CC1CC(C2)(C)C)C)c1ccc(c(c1)OC)OC
• InChI: InChI=1S/C29H37N3O4/c1-8-36-25-13-21-20(12-24(25)35-7)27(32-17-29(4)15-19(32)14-28(2,3)16-29)31-26(30-21)18-9-10-22(33-5)23(11-18)34-6/h9-13,19H,8,14-17H2,1-7H3
• InChIKey: QYICTIBSWPYCNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-4-{1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}quinazoline
• IUPAC Traditional name: 2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-4-{1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}quinazoline

Database IDs

• PubChem SID: 164250554
• PubChem CID: 3727348

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 6.1764574
• LogD (pH = 7.4): 6.4674363
• Log P: 6.472783
• Molar Refractivity: 152.1301 cm^3
• Polarizability: 56.33535 Å^3
• Polar Surface Area: 65.94 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds