1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[2-(pyridin-3-yloxy)ethyl]piperidine-4-carboxamide

• ChemBase ID: 593378
• Molecular Formular: C24H29N5O3
• Molecular Mass: 435.51876
• Monoisotopic Mass: 435.22703981
• SMILES: c1(nc(c2c(n1)ccc(c2)OCC)C)N1CCC(C(=O)NCCOc2cnccc2)CC1
• Canonical SMILES: CCOc1ccc2c(c1)c(C)nc(n2)N1CCC(CC1)C(=O)NCCOc1cccnc1
• InChI: InChI=1S/C24H29N5O3/c1-3-31-19-6-7-22-21(15-19)17(2)27-24(28-22)29-12-8-18(9-13-29)23(30)26-11-14-32-20-5-4-10-25-16-20/h4-7,10,15-16,18H,3,8-9,11-14H2,1-2H3,(H,26,30)
• InChIKey: NSFJVLKBOUKZJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[2-(pyridin-3-yloxy)ethyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[2-(pyridin-3-yloxy)ethyl]piperidine-4-carboxamide
• Synonyms: 1-(6-ethoxy-4-methyl-2-quinazolinyl)-N-[2-(3-pyridinyloxy)ethyl]-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.031093
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 2.3423555
• LogD (pH = 7.4): 2.457032
• Log P: 2.4586205
• Molar Refractivity: 122.4745 cm^3
• Polarizability: 47.890095 Å^3
• Polar Surface Area: 89.47 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 3.42
• LOG S: -6.34
• Polar Surface Area: 89.47 Å^2
• Rotatable Bonds: 6