N-(2,2-dimethyloxan-4-yl)-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide

• ChemBase ID: 611165
• Molecular Formular: C24H34N4O2
• Molecular Mass: 410.55236
• Monoisotopic Mass: 410.26817635
• SMILES: c1(nc2c(c(n1)C)cc(c(c2)C)C)N1CCC(C(=O)NC2CC(OCC2)(C)C)CC1
• Canonical SMILES: O=C(C1CCN(CC1)c1nc(C)c2c(n1)cc(c(c2)C)C)NC1CCOC(C1)(C)C
• InChI: InChI=1S/C24H34N4O2/c1-15-12-20-17(3)25-23(27-21(20)13-16(15)2)28-9-6-18(7-10-28)22(29)26-19-8-11-30-24(4,5)14-19/h12-13,18-19H,6-11,14H2,1-5H3,(H,26,29)
• InChIKey: OAYSBPWCAMIDRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-dimethyloxan-4-yl)-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide
• IUPAC Traditional name: N-(2,2-dimethyloxan-4-yl)-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide
• Synonyms: N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-1-(4,6,7-trimethyl-2-quinazolinyl)-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.4852085
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.3137555
• LogD (pH = 7.4): 3.5149877
• Log P: 3.5182872
• Molar Refractivity: 120.4823 cm^3
• Polarizability: 46.86 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.89
• LOG S: -6.66
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 3