N-{[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl}-2-fluoro-N-(oxolan-2-ylmethyl)benzamide

• ChemBase ID: 820723
• Molecular Formular: C26H30FN3O4
• Molecular Mass: 467.5325032
• Monoisotopic Mass: 467.22203468
• SMILES: c1(c(nc2c(c1)c(ccc2OC)OC)N(C)C)CN(C(=O)c1c(F)cccc1)CC1OCCC1
• Canonical SMILES: COc1ccc(c2c1cc(CN(C(=O)c1ccccc1F)CC1CCCO1)c(n2)N(C)C)OC
• InChI: InChI=1S/C26H30FN3O4/c1-29(2)25-17(14-20-22(32-3)11-12-23(33-4)24(20)28-25)15-30(16-18-8-7-13-34-18)26(31)19-9-5-6-10-21(19)27/h5-6,9-12,14,18H,7-8,13,15-16H2,1-4H3
• InChIKey: CDZUFFJYDDVSNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl}-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
• IUPAC Traditional name: N-{[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl}-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
• Synonyms: N-{[2-(dimethylamino)-5,8-dimethoxy-3-quinolinyl]methyl}-2-fluoro-N-(tetrahydro-2-furanylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.0741234
• LogD (pH = 7.4): 4.1014557
• Log P: 4.1018157
• Molar Refractivity: 129.6033 cm^3
• Polarizability: 49.89331 Å^3
• Polar Surface Area: 64.13 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 5.32
• LOG S: -5.42
• Polar Surface Area: 64.13 Å^2
• Rotatable Bonds: 5