Ethyl 4-acetoxy-6,7-difluoro-2-(ethylthio)quinoline-3-carboxylate

The IUPAC name of Ethyl 4-acetoxy-6,7-difluoro-2-(ethylthio)quinoline-3-carboxylate is ethyl 4-acetyloxy-2-ethylsulfanyl-6,7-difluoroquinoline-3-carboxylate. With the CAS registry number 154330-68-4, it is also named as 3-Quinolinecarboxylic acid, 4-(acetyloxy)-2-(ethylthio)-6,7-difluoro-, ethyl ester. The product's category is Intermediate of Prulifloxacin. In addition, its molecular formula is C₁₆H₁₅F₂NO₄S and its molecular weight is 355.36.

The other characteristics of Ethyl 4-acetoxy-6,7-difluoro-2-(ethylthio)quinoline-3-carboxylate can be summarized as: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 469; (6)ACD/BCF (pH 7.4): 469; (7)ACD/KOC (pH 5.5): 2844; (8)ACD/KOC (pH 7.4): 2844; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 90.79 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 86.459 cm³; (15)Molar Volume: 260.018 cm³; (16)Polarizability: 34.275×10^-24cm³; (17)Surface Tension: 52.248 dyne/cm; (18)Density: 1.367 g/cm³; (19)Flash Point: 221.701 °C; (20)Enthalpy of Vaporization: 70.053 kJ/mol; (21)Boiling Point: 442.971 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Fc1cc2nc(SCC)c(c(OC(=O)C)c2cc1F)C(=O)OCC
(2)InChI: InChI=1/C16H15F2NO4S/c1-4-22-16(21)13-14(23-8(3)20)9-6-10(17)11(18)7-12(9)19-15(13)24-5-2/h6-7H,4-5H2,1-3H3
(3)InChIKey: SQBUMINRQFVBQZ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C16H15F2NO4S/c1-4-22-16(21)13-14(23-8(3)20)9-6-10(17)11(18)7-12(9)19-15(13)24-5-2/h6-7H,4-5H2,1-3H3
(5)Std. InChIKey: SQBUMINRQFVBQZ-UHFFFAOYSA-N