3-Quinolinecarboxylicacid, 1,2-dihydro-4-hydroxy-1-methyl-2-oxo-, ethyl ester supplier

Name
1,2-DIHYDRO-4-HYDROXY-1-METHYL-2-OXO-3-QUINOLINECARBOXYLIC ACID ETHYL ESTER
EINECS
CAS No. 57513-54-9
Article Data33
CAS DataBase
Density 1.328 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₃NO₄
Boiling Point 353.3 °C at 760 mmHg
Molecular Weight 247.251
Flash Point 167.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate;Ethyl 4-hydroxy-1-methylcarbostyril-3-carboxylate;
PSA 68.53000
LogP 1.42080

3-Quinolinecarboxylicacid, 1,2-dihydro-4-hydroxy-1-methyl-2-oxo-, ethyl ester Specification

The CAS register number of 3-Quinolinecarboxylicacid, 1,2-dihydro-4-hydroxy-1-methyl-2-oxo-, ethyl ester is 57513-54-9. It also can be called as 1,2-Dihydro-4-hydroxy-1-methyl-2-oxo-3-quinolinecarboxylic acid ethyl ester and the IUPAC name about this chemical is (3Z)-3-[ethoxy(hydroxy)methylidene]-1-methylquinoline-2,4-dione. The molecular formula about this chemical is C₁₃H₁₃NO₄ and the molecular weight is 247.25. Classification code about this chemical is Drug / Therapeutic Agent.

Physical properties about 3-Quinolinecarboxylicacid, 1,2-dihydro-4-hydroxy-1-methyl-2-oxo-, ethyl ester are: (1)ACD/LogP: 0.20; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 4.23; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 55.84Å²; (10)Index of Refraction: 1.6; (11)Molar Refractivity: 63.72 cm³; (12)Molar Volume: 186 cm³; (13)Polarizability: 25.26x10^-24cm³; (14)Surface Tension: 55.1 dyne/cm; (15)Enthalpy of Vaporization: 63.12 kJ/mol; (16)Boiling Point: 353.3 °C at 760 mmHg; (17)Vapour Pressure: 1.34E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\2c1c(cccc1)N(C(=O)C/2=C(\O)OCC)C
(2)InChI: InChI=1/C13H13NO4/c1-3-18-13(17)10-11(15)8-6-4-5-7-9(8)14(2)12(10)16/h4-7,17H,3H2,1-2H3/b13-10-
(3)InChIKey: QJFCRHMZUHTDQB-RAXLEYEMBW
(4)Std. InChI: InChI=1S/C13H13NO4/c1-3-18-13(17)10-11(15)8-6-4-5-7-9(8)14(2)12(10)16/h4-7,17H,3H2,1-2H3/b13-10-
(5)Std. InChIKey: QJFCRHMZUHTDQB-RAXLEYEMSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	> 1gm/kg (1000mg/kg)		Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 17, Pg. 488, 1979.

Product Name

1,2-DIHYDRO-4-HYDROXY-1-METHYL-2-OXO-3-QUINOLINECARBOXYLIC ACID ETHYL ESTER

3-Quinolinecarboxylicacid, 1,2-dihydro-4-hydroxy-1-methyl-2-oxo-, ethyl ester Specification

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