8-(5-propylfuran-2-yl)-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinolin-6-one

• ChemBase ID: 667907
• Molecular Formular: C17H17NO4
• Molecular Mass: 299.32118
• Monoisotopic Mass: 299.11575803
• SMILES: c12c(C(c3oc(cc3)CCC)CC(=O)N1)cc1c(c2)OCO1
• Canonical SMILES: CCCc1ccc(o1)C1CC(=O)Nc2c1cc1OCOc1c2
• InChI: InChI=1S/C17H17NO4/c1-2-3-10-4-5-14(22-10)12-7-17(19)18-13-8-16-15(6-11(12)13)20-9-21-16/h4-6,8,12H,2-3,7,9H2,1H3,(H,18,19)
• InChIKey: DAICMBKXSHGCOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(5-propylfuran-2-yl)-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinolin-6-one
• IUPAC Traditional name: 8-(5-propylfuran-2-yl)-2H,5H,7H,8H-[1,3]dioxolo[4,5-g]quinolin-6-one
• Synonyms: 8-(5-propyl-2-furyl)-7,8-dihydro[1,3]dioxolo[4,5-g]quinolin-6(5H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.754492
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7096207
• LogD (pH = 7.4): 2.7096205
• Log P: 2.7096207
• Molar Refractivity: 81.339 cm^3
• Polarizability: 30.711435 Å^3
• Polar Surface Area: 60.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.24
• LOG S: -4.15
• Polar Surface Area: 60.7 Å^2
• Rotatable Bonds: 3