N-{[6-(3-chlorophenyl)-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl}-2-cyclopentyl-N-(2-methoxyethyl)acetamide

• ChemBase ID: 558811
• Molecular Formular: C27H29ClN2O4
• Molecular Mass: 480.98316
• Monoisotopic Mass: 480.1815851
• SMILES: n1c(c(CN(C(=O)CC2CCCC2)CCOC)cc2c1cc1c(c2)OCO1)c1cc(Cl)ccc1
• Canonical SMILES: COCCN(C(=O)CC1CCCC1)Cc1cc2cc3OCOc3cc2nc1c1cccc(c1)Cl
• InChI: InChI=1S/C27H29ClN2O4/c1-32-10-9-30(26(31)11-18-5-2-3-6-18)16-21-12-20-14-24-25(34-17-33-24)15-23(20)29-27(21)19-7-4-8-22(28)13-19/h4,7-8,12-15,18H,2-3,5-6,9-11,16-17H2,1H3
• InChIKey: QQYNOVCIQONOBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[6-(3-chlorophenyl)-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl}-2-cyclopentyl-N-(2-methoxyethyl)acetamide
• IUPAC Traditional name: N-{[6-(3-chlorophenyl)-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl}-2-cyclopentyl-N-(2-methoxyethyl)acetamide
• Synonyms: N-{[6-(3-chlorophenyl)[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl}-2-cyclopentyl-N-(2-methoxyethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.3685794
• LogD (pH = 7.4): 5.3700857
• Log P: 5.370105
• Molar Refractivity: 130.3489 cm^3
• Polarizability: 53.64058 Å^3
• Polar Surface Area: 60.89 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: 5.96
• LOG S: -5.25
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 7