8-methoxy-N-[1-(3-phenylpropyl)piperidin-3-yl]quinolin-2-amine

• ChemBase ID: 334659
• Molecular Formular: C24H29N3O
• Molecular Mass: 375.50656
• Monoisotopic Mass: 375.23106256
• SMILES: n1c2c(OC)cccc2ccc1NC1CN(CCCc2ccccc2)CCC1
• Canonical SMILES: COc1cccc2c1nc(cc2)NC1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C24H29N3O/c1-28-22-13-5-11-20-14-15-23(26-24(20)22)25-21-12-7-17-27(18-21)16-6-10-19-8-3-2-4-9-19/h2-5,8-9,11,13-15,21H,6-7,10,12,16-18H2,1H3,(H,25,26)
• InChIKey: IEEFGLNGABCWIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-N-[1-(3-phenylpropyl)piperidin-3-yl]quinolin-2-amine
• IUPAC Traditional name: 8-methoxy-N-[1-(3-phenylpropyl)piperidin-3-yl]quinolin-2-amine
• Synonyms: 8-methoxy-N-[1-(3-phenylpropyl)-3-piperidinyl]-2-quinolinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6328126
• LogD (pH = 7.4): 3.0167313
• Log P: 4.982377
• Molar Refractivity: 116.1487 cm^3
• Polarizability: 45.735645 Å^3
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.27
• LOG S: -4.58
• Polar Surface Area: 37.39 Å^2
• Rotatable Bonds: 7