1H,4H-[1,3]Thiazeto[3,2-a]quinoline-3-carboxylicacid, 6-fluoro-1-methyl-4-oxo-7-(1-piperazinyl)- (112984-60-8)

The IUPAC name of Ulifloxacin is 6-fluoro-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid. With the CAS registry number 112984-60-8, it is also named as (1RS)-6-Fluoro-1-methyl-4-oxo-7-(piperazin-1-yl)-4H-(1,3)thiazeto(3,2-a)quinoline-3-carboxylic acid. The product's categories are API Intermediates; Prulifloxacin; Intermediate of Prulifloxacin. In addition, its molecular formula is C₁₆H₁₆FN₃O₃S and molecular weight is 349.38.

The other characteristics of Ulifloxacin can be summarized as: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.21; (4)ACD/LogD (pH 7.4): -1.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)H bond acceptors: 6; (10)H bond donors: 2; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 78.39 Å²; (13)Index of Refraction: 1.724; (14)Molar Refractivity: 87.65 cm³; (15)Molar Volume: 220.8 cm³; (16)Polarizability: 34.75×10^-24cm³; (17)Surface Tension: 78.9 dyne/cm; (18)Density: 1.58 g/cm³; (19)Flash Point: 302.8 °C; (20)Enthalpy of Vaporization: 90.87 kJ/mol; (21)Boiling Point: 577 °C at 760 mmHg; (22)Vapour Pressure: 3.73E-14 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Fc2cc4c(cc2N1CCNCC1)N3C(/SC3C)=C(\C4=O)C(=O)O
(2)InChI:InChI=1/C16H16FN3O3S/c1-8-20-11-7-12(19-4-2-18-3-5-19)10(17)6-9(11)14(21)13(16(22)23)15(20)24-8/h6-8,18H,2-5H2,1H3,(H,22,23)
(3)InChIKey:SUXQDLLXIBLQHW-UHFFFAOYAZ
(4)Std. InChI:InChI=1S/C16H16FN3O3S/c1-8-20-11-7-12(19-4-2-18-3-5-19)10(17)6-9(11)14(21)13(16(22)23)15(20)24-8/h6-8,18H,2-5H2,1H3,(H,22,23)
(5)Std. InChIKey:SUXQDLLXIBLQHW-UHFFFAOYSA-N