6,7-dimethoxy-2-(3-methyl-3-phenylpiperidin-1-yl)quinazolin-4-amine

• ChemBase ID: 440389
• Molecular Formular: C22H26N4O2
• Molecular Mass: 378.46744
• Monoisotopic Mass: 378.20557609
• SMILES: c1(nc(c2c(n1)cc(c(c2)OC)OC)N)N1CC(c2ccccc2)(CCC1)C
• Canonical SMILES: COc1cc2nc(nc(c2cc1OC)N)N1CCCC(C1)(C)c1ccccc1
• InChI: InChI=1S/C22H26N4O2/c1-22(15-8-5-4-6-9-15)10-7-11-26(14-22)21-24-17-13-19(28-3)18(27-2)12-16(17)20(23)25-21/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H2,23,24,25)
• InChIKey: WDFOLLKAVKQOFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-2-(3-methyl-3-phenylpiperidin-1-yl)quinazolin-4-amine
• IUPAC Traditional name: 6,7-dimethoxy-2-(3-methyl-3-phenylpiperidin-1-yl)quinazolin-4-amine
• Synonyms: 6,7-dimethoxy-2-(3-methyl-3-phenylpiperidin-1-yl)quinazolin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.8763084
• LogD (pH = 7.4): 4.15679
• Log P: 4.389225
• Molar Refractivity: 112.2221 cm^3
• Polarizability: 43.196865 Å^3
• Polar Surface Area: 73.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.16
• LOG S: -6.52
• Polar Surface Area: 73.5 Å^2
• Rotatable Bonds: 4