N-methyl-1-[2-(morpholin-4-yl)ethyl]-6-oxo-N-(quinolin-8-ylmethyl)piperidine-3-carboxamide

• ChemBase ID: 463501
• Molecular Formular: C23H30N4O3
• Molecular Mass: 410.5093
• Monoisotopic Mass: 410.23179084
• SMILES: N1(C(=O)CCC(C(=O)N(Cc2c3ncccc3ccc2)C)C1)CCN1CCOCC1
• Canonical SMILES: O=C(N(Cc1cccc2c1nccc2)C)C1CCC(=O)N(C1)CCN1CCOCC1
• InChI: InChI=1S/C23H30N4O3/c1-25(16-19-5-2-4-18-6-3-9-24-22(18)19)23(29)20-7-8-21(28)27(17-20)11-10-26-12-14-30-15-13-26/h2-6,9,20H,7-8,10-17H2,1H3
• InChIKey: FKEZFQWTOAZVRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-[2-(morpholin-4-yl)ethyl]-6-oxo-N-(quinolin-8-ylmethyl)piperidine-3-carboxamide
• IUPAC Traditional name: N-methyl-1-[2-(morpholin-4-yl)ethyl]-6-oxo-N-(quinolin-8-ylmethyl)piperidine-3-carboxamide
• Synonyms: N-methyl-1-[2-(4-morpholinyl)ethyl]-6-oxo-N-(8-quinolinylmethyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.1068689
• LogD (pH = 7.4): 0.7551025
• Log P: 0.7899688
• Molar Refractivity: 115.0846 cm^3
• Polarizability: 45.898148 Å^3
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.06
• LOG S: -0.6
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 6