(2-phenylpropyl)({[6-(pyrrolidin-1-yl)-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl})amine

• ChemBase ID: 360597
• Molecular Formular: C24H27N3O2
• Molecular Mass: 389.49008
• Monoisotopic Mass: 389.21032712
• SMILES: c1(nc2c(cc1CNCC(c1ccccc1)C)cc1c(c2)OCO1)N1CCCC1
• Canonical SMILES: CC(c1ccccc1)CNCc1cc2cc3OCOc3cc2nc1N1CCCC1
• InChI: InChI=1S/C24H27N3O2/c1-17(18-7-3-2-4-8-18)14-25-15-20-11-19-12-22-23(29-16-28-22)13-21(19)26-24(20)27-9-5-6-10-27/h2-4,7-8,11-13,17,25H,5-6,9-10,14-16H2,1H3
• InChIKey: LARLAADTFNVREN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenylpropyl)({[6-(pyrrolidin-1-yl)-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl})amine
• IUPAC Traditional name: (2-phenylpropyl)({[6-(pyrrolidin-1-yl)-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl})amine
• Synonyms: (2-phenylpropyl){[6-(1-pyrrolidinyl)[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl}amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6008968
• LogD (pH = 7.4): 2.7292533
• Log P: 4.7988887
• Molar Refractivity: 115.1165 cm^3
• Polarizability: 45.615944 Å^3
• Polar Surface Area: 46.62 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: 5.77
• LOG S: -4.79
• Polar Surface Area: 46.62 Å^2
• Rotatable Bonds: 6