N-(4-fluorophenyl)-1-(6-methylquinoline-4-carbonyl)piperidin-3-amine

• ChemBase ID: 711478
• Molecular Formular: C22H22FN3O
• Molecular Mass: 363.4279832
• Monoisotopic Mass: 363.17469056
• SMILES: C(=O)(N1CC(Nc2ccc(F)cc2)CCC1)c1c2c(ncc1)ccc(c2)C
• Canonical SMILES: Fc1ccc(cc1)NC1CCCN(C1)C(=O)c1ccnc2c1cc(C)cc2
• InChI: InChI=1S/C22H22FN3O/c1-15-4-9-21-20(13-15)19(10-11-24-21)22(27)26-12-2-3-18(14-26)25-17-7-5-16(23)6-8-17/h4-11,13,18,25H,2-3,12,14H2,1H3
• InChIKey: QXFBVIAWMIJUAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluorophenyl)-1-(6-methylquinoline-4-carbonyl)piperidin-3-amine
• IUPAC Traditional name: N-(4-fluorophenyl)-1-(6-methylquinoline-4-carbonyl)piperidin-3-amine
• Synonyms: N-(4-fluorophenyl)-1-[(6-methyl-4-quinolinyl)carbonyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.7651021
• LogD (pH = 7.4): 3.8242726
• Log P: 3.8250797
• Molar Refractivity: 105.6027 cm^3
• Polarizability: 40.407005 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.23
• LOG S: -6.05
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 3