ethyl 1-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]piperidine-4-carboxylate

• ChemBase ID: 421294
• Molecular Formular: C23H32N4O3
• Molecular Mass: 412.52518
• Monoisotopic Mass: 412.2474409
• SMILES: c1(nc2c(c(n1)C)ccc(c2)OC)N1CCC(N2CCC(C(=O)OCC)CC2)CC1
• Canonical SMILES: CCOC(=O)C1CCN(CC1)C1CCN(CC1)c1nc(C)c2c(n1)cc(cc2)OC
• InChI: InChI=1S/C23H32N4O3/c1-4-30-22(28)17-7-11-26(12-8-17)18-9-13-27(14-10-18)23-24-16(2)20-6-5-19(29-3)15-21(20)25-23/h5-6,15,17-18H,4,7-14H2,1-3H3
• InChIKey: RWFIBGUBPQFWMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]piperidine-4-carboxylate
• IUPAC Traditional name: ethyl 1-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]piperidine-4-carboxylate
• Synonyms: ethyl 1'-(7-methoxy-4-methyl-2-quinazolinyl)-1,4'-bipiperidine-4-carboxylate

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.25
• LOG S: -4.93
• Polar Surface Area: 67.79 Å^2
• Rotatable Bonds: 3

JChem

• H Donor: 0
• LogD (pH = 5.5): -0.26761177
• LogD (pH = 7.4): 1.5990765
• Log P: 2.7882102
• Molar Refractivity: 117.5805 cm^3
• Polarizability: 46.236492 Å^3
• Polar Surface Area: 67.79 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 6