N-{[8-methyl-2-(pyrrolidin-1-yl)quinolin-3-yl]methyl}cyclopentanamine

• ChemBase ID: 855717
• Molecular Formular: C20H27N3
• Molecular Mass: 309.44848
• Monoisotopic Mass: 309.22049788
• SMILES: c1(nc2c(cc1CNC1CCCC1)cccc2C)N1CCCC1
• Canonical SMILES: Cc1cccc2c1nc(N1CCCC1)c(c2)CNC1CCCC1
• InChI: InChI=1S/C20H27N3/c1-15-7-6-8-16-13-17(14-21-18-9-2-3-10-18)20(22-19(15)16)23-11-4-5-12-23/h6-8,13,18,21H,2-5,9-12,14H2,1H3
• InChIKey: OUCLXIXOEHHPCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[8-methyl-2-(pyrrolidin-1-yl)quinolin-3-yl]methyl}cyclopentanamine
• IUPAC Traditional name: N-{[8-methyl-2-(pyrrolidin-1-yl)quinolin-3-yl]methyl}cyclopentanamine
• Synonyms: N-{[8-methyl-2-(1-pyrrolidinyl)-3-quinolinyl]methyl}cyclopentanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4854448
• LogD (pH = 7.4): 2.612709
• Log P: 4.6656713
• Molar Refractivity: 96.9648 cm^3
• Polarizability: 38.41094 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 5.11
• LOG S: -4.55
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 4