4-methoxy-N-(3-methoxypropyl)-N-{[6-(2-methylphenyl)-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl}benzamide

• ChemBase ID: 564948
• Molecular Formular: C30H30N2O5
• Molecular Mass: 498.5696
• Monoisotopic Mass: 498.21547207
• SMILES: n1c(c(CN(C(=O)c2ccc(cc2)OC)CCCOC)cc2c1cc1c(c2)OCO1)c1c(C)cccc1
• Canonical SMILES: COCCCN(C(=O)c1ccc(cc1)OC)Cc1cc2cc3OCOc3cc2nc1c1ccccc1C
• InChI: InChI=1S/C30H30N2O5/c1-20-7-4-5-8-25(20)29-23(15-22-16-27-28(37-19-36-27)17-26(22)31-29)18-32(13-6-14-34-2)30(33)21-9-11-24(35-3)12-10-21/h4-5,7-12,15-17H,6,13-14,18-19H2,1-3H3
• InChIKey: JMYGDSZRGILKNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-(3-methoxypropyl)-N-{[6-(2-methylphenyl)-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl}benzamide
• IUPAC Traditional name: 4-methoxy-N-(3-methoxypropyl)-N-{[6-(2-methylphenyl)-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl}benzamide
• Synonyms: 4-methoxy-N-(3-methoxypropyl)-N-{[6-(2-methylphenyl)[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl}benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.1718054
• LogD (pH = 7.4): 5.1783257
• Log P: 5.1784096
• Molar Refractivity: 141.4081 cm^3
• Polarizability: 56.974552 Å^3
• Polar Surface Area: 70.12 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 5.48
• LOG S: -6.1
• Polar Surface Area: 70.12 Å^2
• Rotatable Bonds: 7