1-cyclopropyl-7-(2,8-diazabicyclo[4.3.0]non-8-yl)-6-fluoro-8-methoxy-4 -oxo-quinoline-3-carboxylic acid

The 1-Cyclopropyl-7-(2,8-diazabicyclo[4.3.0]non-8-yl)-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid, with the CAS registry number 354812-41-2, is also known as 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-. This chemical's molecular formula is C₂₁H₂₄FN₃O₄ and molecular weight is 401.43. What's more, its systematic name is 1-Cyclopropyl-6-fluoro-8-methoxy-7-(octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid.

Physical properties of 1-Cyclopropyl-7-(2,8-diazabicyclo[4.3.0]non-8-yl)-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid are: (1)ACD/LogP: 2.825; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.12; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 2.51; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 82.11 Å²; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 101.823 cm³; (15)Molar Volume: 284.995 cm³; (16)Polarizability: 40.366×10^-24cm³; (17)Surface Tension: 60.6 dyne/cm; (18)Density: 1.409 g/cm³; (19)Flash Point: 338.672 °C; (20)Enthalpy of Vaporization: 98.821 kJ/mol; (21)Boiling Point: 636.382 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc2cc1C(=O)C(\C(=O)O)=C/N(c1c(OC)c2N4CC3CCCNC3C4)C5CC5
(2)Std. InChI: InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)
(3)Std. InChIKey: FABPRXSRWADJSP-UHFFFAOYSA-N