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

• ChemBase ID: 536741
• Molecular Formular: C24H21FN2O4
• Molecular Mass: 420.4329432
• Monoisotopic Mass: 420.14853538
• SMILES: n1c(c(cc2c1cc1c(c2)OCO1)CNCc1oc(cc1)C)OCc1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)COc1nc2cc3OCOc3cc2cc1CNCc1ccc(o1)C
• InChI: InChI=1S/C24H21FN2O4/c1-15-5-6-20(31-15)12-26-11-18-8-17-9-22-23(30-14-29-22)10-21(17)27-24(18)28-13-16-3-2-4-19(25)7-16/h2-10,26H,11-14H2,1H3
• InChIKey: ZDRYNACVSBFBMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({6-[(3-fluorophenyl)methoxy]-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl}methyl)[(5-methylfuran-2-yl)methyl]amine
• IUPAC Traditional name: ({6-[(3-fluorophenyl)methoxy]-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl}methyl)[(5-methylfuran-2-yl)methyl]amine
• Synonyms: ({6-[(3-fluorobenzyl)oxy][1,3]dioxolo[4,5-g]quinolin-7-yl}methyl)[(5-methyl-2-furyl)methyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.9018447
• LogD (pH = 7.4): 4.3873897
• Log P: 4.600725
• Molar Refractivity: 112.7531 cm^3
• Polarizability: 44.58967 Å^3
• Polar Surface Area: 65.75 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 4.65
• LOG S: -5.61
• Polar Surface Area: 65.75 Å^2
• Rotatable Bonds: 7