2-CYCLOPROPYL-QUINOLINE-4-CARBOXYLIC ACID

The 4-Quinolinecarboxylicacid, 2-cyclopropyl-, with the CAS registry number 119778-64-2, is also known as 2-Cyclopropyl-4-quinolinecarboxylic acid. This chemical's molecular formula is C₁₃H₁₁NO₂ and molecular weight is 213.24. What's more, its systematic name is 2-cyclopropylquinoline-4-carboxylic acid.

Physical properties of 4-Quinolinecarboxylicacid, 2-cyclopropyl- are: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.53; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.3; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 39.19 Å²; (12)Index of Refraction: 1.705; (13)Molar Refractivity: 61.14 cm³; (14)Molar Volume: 157.2 cm³; (15)Polarizability: 24.23×10^-24cm³; (16)Surface Tension: 69.1 dyne/cm; (17)Density: 1.355 g/cm³; (18)Flash Point: 195.8 °C; (19)Enthalpy of Vaporization: 68.65 kJ/mol; (20)Boiling Point: 400.1 °C at 760 mmHg; (21)Vapour Pressure: 4.03E-07 mmHg at 25°C.

Preparation of 4-Quinolinecarboxylicacid, 2-cyclopropyl-: this chemical can be prepared by indole-2,3-dione and 1-cyclopropyl-ethanone by heating. This reaction will need reagent KOH and solvent aq. ethanol with the reaction time of 7 hours. The yield is about 84%.

Uses of 4-Quinolinecarboxylicacid, 2-cyclopropyl-: it can be used to produce 2-Cyclopropyl-4-ethoxycarbonylquinoline by heating. It will need reagent conc. H₂SO₄. The yield is about 52%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c3ccccc3nc(c1)C2CC2
(2)InChI: InChI=1S/C13H11NO2/c15-13(16)10-7-12(8-5-6-8)14-11-4-2-1-3-9(10)11/h1-4,7-8H,5-6H2,(H,15,16)
(3)InChIKey: HYOFXKNWXLKLSH-UHFFFAOYSA-N