2,3-Quinolinedicarboxylicacid, 2,3-diethyl ester (32413-08-4)

The Diethyl 2,3-quinolinedicarboxylate, with cas registry number 32413-08-4, has the systematic name of diethyl quinoline-2,3-dicarboxylate. And its IUPAC name is the same one. Besides this, it is also called 2,3-quinolinedicarboxylic acid, diethyl ester.

Physical properties about this chemical are: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 68.23; (6)ACD/BCF (pH 7.4): 68.23; (7)ACD/KOC (pH 5.5): 715.08; (8)ACD/KOC (pH 7.4): 715.08; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 65.49 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 74.99 cm³; (15)Molar Volume: 225.5 cm³; (16)Polarizability: 29.73×10^-24cm³; (17)Surface Tension: 48.2 dyne/cm; (18)Enthalpy of Vaporization: 61.73 kJ/mol; (19)Vapour Pressure: 1.11E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(OCC)c1cc2ccccc2nc1C(=O)OCC
(2)InChI: InChI=1/C15H15NO4/c1-3-19-14(17)11-9-10-7-5-6-8-12(10)16-13(11)15(18)20-4-2/h5-9H,3-4H2,1-2H3
(3)InChIKey: ICMBEQVDQPLOFB-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C15H15NO4/c1-3-19-14(17)11-9-10-7-5-6-8-12(10)16-13(11)15(18)20-4-2/h5-9H,3-4H2,1-2H3
(5)Std. InChIKey: ICMBEQVDQPLOFB-UHFFFAOYSA-N