Ethyl 4-hydroxy-2-quinolinecarboxylate - CAS 24782-43-2

Catalog:	BB018620
Product Name:	Ethyl 4-hydroxy-2-quinolinecarboxylate
CAS:	24782-43-2
Synonyms:	ethyl 4-oxo-1H-quinoline-2-carboxylate

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Computed Properties

IUPAC Name:	ethyl 4-oxo-1H-quinoline-2-carboxylate
Description:	Ethyl 4-hydroxy-2-quinolinecarboxylate (CAS# 24782-43-2) is a useful research chemical.
Molecular Weight:	217.22
Molecular Formula:	C12H11NO3
Canonical SMILES:	CCOC(=O)C1=CC(=O)C2=CC=CC=C2N1
InChI:	InChI=1S/C12H11NO3/c1-2-16-12(15)10-7-11(14)8-5-3-4-6-9(8)13-10/h3-7H,2H2,1H3,(H,13,14)
InChI Key:	UACLREXZGKWWIC-UHFFFAOYSA-N
Boiling Point:	343.7 °C at 760 mmHg
Density:	1.246 g/cm³
MDL:	MFCD01863732
LogP:	2.11710

Publication Number	Title	Priority Date
EP-3423444-A1	Novel types of c-3 substituted kinurenic acid derivatives with improved neuroprotective activity	20160304
US-2019106409-A1	Novel types of c-3 substituted kynurenic acid derivatives with improved neuroprotective activity	20160304
WO-2017149333-A1	Novel types of c-3 substituted kinurenic acid derivatives with improved neuroprotective activity	20160304
EP-3423444-B1	Novel types of c-3 substituted kinurenic acid derivatives with improved neuroprotective activity	20160304
US-10870633-B2	Types of C-3 substituted kynurenic acid derivatives with improved neuroprotective activity	20160304

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Related Functional Groups

Quinoline/Isoquinoline

[91092-92-1]
3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione
[30740-95-5]
6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydrochloride
[892874-65-6]
2,7-Dimethylquinoline-3-carboxylic acid ethyl ester
[13676-02-3]
2-Chloro-6-methoxyquinoline
[4965-34-8]
7-Bromo-2-methylquinoline
[312713-96-5]
7-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	335
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.07389321
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	217.07389321
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2