N-{[6-(dimethylamino)-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl}-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide

• ChemBase ID: 364694
• Molecular Formular: C32H33N3O4
• Molecular Mass: 523.62212
• Monoisotopic Mass: 523.24710655
• SMILES: c1(c(nc2c(c1)cc1c(c2)OCO1)N(C)C)CN(C(=O)C(c1ccccc1)c1ccccc1)CC1OCCC1
• Canonical SMILES: O=C(C(c1ccccc1)c1ccccc1)N(Cc1cc2cc3OCOc3cc2nc1N(C)C)CC1CCCO1
• InChI: InChI=1S/C32H33N3O4/c1-34(2)31-25(16-24-17-28-29(39-21-38-28)18-27(24)33-31)19-35(20-26-14-9-15-37-26)32(36)30(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,16-18,26,30H,9,14-15,19-21H2,1-2H3
• InChIKey: GBNGVTRSSDIIPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[6-(dimethylamino)-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl}-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide
• IUPAC Traditional name: N-{[6-(dimethylamino)-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl}-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide
• Synonyms: N-{[6-(dimethylamino)[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl}-2,2-diphenyl-N-(tetrahydro-2-furanylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.9901366
• LogD (pH = 7.4): 5.5397367
• Log P: 5.5546455
• Molar Refractivity: 150.9483 cm^3
• Polarizability: 59.316906 Å^3
• Polar Surface Area: 64.13 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 5.93
• LOG S: -5.1
• Polar Surface Area: 64.13 Å^2
• Rotatable Bonds: 7