N-[2-(quinolin-8-yloxy)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)propanamide

• ChemBase ID: 483251
• Molecular Formular: C23H25N3O2
• Molecular Mass: 375.4635
• Monoisotopic Mass: 375.19467706
• SMILES: N1(Cc2c(CC1)cccc2)C(C(=O)NCCOc1c2ncccc2ccc1)C
• Canonical SMILES: CC(N1CCc2c(C1)cccc2)C(=O)NCCOc1cccc2c1nccc2
• InChI: InChI=1S/C23H25N3O2/c1-17(26-14-11-18-6-2-3-7-20(18)16-26)23(27)25-13-15-28-21-10-4-8-19-9-5-12-24-22(19)21/h2-10,12,17H,11,13-16H2,1H3,(H,25,27)
• InChIKey: DVCOGEUCNVLJTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(quinolin-8-yloxy)ethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)propanamide
• IUPAC Traditional name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(quinolin-8-yloxy)ethyl]propanamide
• Synonyms: 2-(3,4-dihydro-2(1H)-isoquinolinyl)-N-[2-(8-quinolinyloxy)ethyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.400531
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.451945
• LogD (pH = 7.4): 2.9800365
• Log P: 3.2197163
• Molar Refractivity: 109.6812 cm^3
• Polarizability: 43.91134 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.57
• LOG S: -4.99
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6