ethyl 4-(6-methoxy-2-oxo-1,2,3,4-tetrahydroquinoline-4-amido)piperidine-1-carboxylate

• ChemBase ID: 515316
• Molecular Formular: C19H25N3O5
• Molecular Mass: 375.4189
• Monoisotopic Mass: 375.17942092
• SMILES: C(=O)(C1c2c(NC(=O)C1)ccc(c2)OC)NC1CCN(C(=O)OCC)CC1
• Canonical SMILES: CCOC(=O)N1CCC(CC1)NC(=O)C1CC(=O)Nc2c1cc(OC)cc2
• InChI: InChI=1S/C19H25N3O5/c1-3-27-19(25)22-8-6-12(7-9-22)20-18(24)15-11-17(23)21-16-5-4-13(26-2)10-14(15)16/h4-5,10,12,15H,3,6-9,11H2,1-2H3,(H,20,24)(H,21,23)
• InChIKey: WKCQWXGURDPLCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-(6-methoxy-2-oxo-1,2,3,4-tetrahydroquinoline-4-amido)piperidine-1-carboxylate
• IUPAC Traditional name: ethyl 4-(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-amido)piperidine-1-carboxylate
• Synonyms: ethyl 4-{[(6-methoxy-2-oxo-1,2,3,4-tetrahydro-4-quinolinyl)carbonyl]amino}-1-piperidinecarboxylate

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.1724
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.22822507
• LogD (pH = 7.4): 0.22822504
• Log P: 0.22822511
• Molar Refractivity: 99.7024 cm^3
• Polarizability: 37.863293 Å^3
• Polar Surface Area: 96.97 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.3
• LOG S: -3.5
• Polar Surface Area: 96.97 Å^2
• Rotatable Bonds: 5