1-(2-cyclopropylquinoline-4-carbonyl)-N-(4-methoxyphenyl)piperidin-3-amine

• ChemBase ID: 429993
• Molecular Formular: C25H27N3O2
• Molecular Mass: 401.50078
• Monoisotopic Mass: 401.21032712
• SMILES: c1(C(=O)N2CC(Nc3ccc(cc3)OC)CCC2)cc(nc2c1cccc2)C1CC1
• Canonical SMILES: COc1ccc(cc1)NC1CCCN(C1)C(=O)c1cc(nc2c1cccc2)C1CC1
• InChI: InChI=1S/C25H27N3O2/c1-30-20-12-10-18(11-13-20)26-19-5-4-14-28(16-19)25(29)22-15-24(17-8-9-17)27-23-7-3-2-6-21(22)23/h2-3,6-7,10-13,15,17,19,26H,4-5,8-9,14,16H2,1H3
• InChIKey: OZGVLQWWDVLKRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-cyclopropylquinoline-4-carbonyl)-N-(4-methoxyphenyl)piperidin-3-amine
• IUPAC Traditional name: 1-(2-cyclopropylquinoline-4-carbonyl)-N-(4-methoxyphenyl)piperidin-3-amine
• Synonyms: 1-[(2-cyclopropyl-4-quinolinyl)carbonyl]-N-(4-methoxyphenyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.5574374
• LogD (pH = 7.4): 3.915306
• Log P: 3.9224515
• Molar Refractivity: 118.799 cm^3
• Polarizability: 46.24701 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.33
• LOG S: -6.4
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 4