2-(2-FURYL)-4-QUINOLINECARBOXYLIC ACID

The 4-Quinolinecarboxylicacid, 2-(2-furanyl)-, with the CAS registry number 20146-25-2, is also known as 2-(2-Furyl)quinoline-4-carboxylic acid. This chemical's molecular formula is C₁₄H₉NO₃ and molecular weight is 239.23. What's more, its IUPAC name is 2-(Furan-2-yl)quinoline-4-carboxylic acid. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 4-Quinolinecarboxylicacid, 2-(2-furanyl)- are: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.25 ; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.91; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 52.33 Å²; (12)Index of Refraction: 1.666; (13)Molar Refractivity: 66 cm³; (14)Molar Volume: 177.3 cm³; (15)Polarizability: 26.16×10^-24 cm³; (16)Surface Tension: 60.5 dyne/cm; (17)Density: 1.348 g/cm³; (18)Flash Point: 216.1 °C; (19)Enthalpy of Vaporization: 72.69 kJ/mol; (20)Boiling Point: 433.7 °C at 760 mmHg; (21)Vapour Pressure: 2.73E-08 mmHg at 25 °C.

Preparation of 4-Quinolinecarboxylicacid, 2-(2-furanyl)-: this chemical is prepared by reaction of 1-Furan-2-yl-ethanone with Indole-2, 3-dione by heating. The reaction needs reagent aq. NaOH. The reaction time is 2 hours. The yield is about 72 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c2cc(nc1ccccc12)c3occc3
(2) InChI: InChI=1/C14H9NO3/c16-14(17)10-8-12(13-6-3-7-18-13)15-11-5-2-1-4-9(10)11/h1-8H,(H,16,17)
(3) InChIKey: WWEKTFINADFAEC-UHFFFAOYAM