2-(4-CHLORO-PHENYL)-QUINOLINE-4-CARBOXYLIC ACID

The 4-Quinolinecarboxylicacid, 2-(4-chlorophenyl)-, with the CAS registry number 5466-31-9, is also known as 4-Carboxy-2-(p-chlorophenyl)quinoline. This chemical's molecular formula is C₁₆H₁₀ClNO₂ and molecular weight is 283.71. What's more, its systematic name is 2-(4-chlorophenyl)quinoline-4-carboxylic acid.

Physical properties of 4-Quinolinecarboxylicacid, 2-(4-chlorophenyl)- are: (1)ACD/LogP: 4.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.62; (4)ACD/LogD (pH 7.4): 1.19; (5)ACD/BCF (pH 5.5): 2.25; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.59; (8)ACD/KOC (pH 7.4): 3.92; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.686; (14)Molar Refractivity: 78.6 cm³; (15)Molar Volume: 206.5 cm³; (16)Polarizability: 31.16×10^-24cm³; (17)Surface Tension: 60.7 dyne/cm; (18)Density: 1.373 g/cm³; (19)Flash Point: 244 °C; (20)Enthalpy of Vaporization: 78.39 kJ/mol; (21)Boiling Point: 479.8 °C at 760 mmHg; (22)Vapour Pressure: 5.13E-10 mmHg at 25°C.

Preparation of 4-Quinolinecarboxylicacid, 2-(4-chlorophenyl)-: this chemical can be prepared by indole-2,3-dione and 1-(4-chloro-phenyl)-ethanone at the temperature of 50 - 60 °C. This reaction will need reagent 34% KOH and solvent ethanol with the reaction time of 14 hours. The yield is about 95%.

Uses of 4-Quinolinecarboxylicacid, 2-(4-chlorophenyl)-: it can be used to produce {[2-(4-chloro-phenyl)-quinoline-4-carbonyl]-methyl-amino}-acetic acid ethyl ester at the ambient temperature. It will need reagent N,N'-dicyclohexyl carbodiimide and solvents tetrahydrofuran, acetonitrile with the reaction time of 4 hours. The yield is about 52%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)O
(2)InChI: InChI=1S/C16H10ClNO2/c17-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)18-15/h1-9H,(H,19,20)
(3)InChIKey: FTEWYGPKBUSJTI-UHFFFAOYSA-N