Ethyl 3-quinolinecarboxylate - CAS 50741-46-3

Catalog:	BB027202
Product Name:	Ethyl 3-quinolinecarboxylate
CAS:	50741-46-3
Synonyms:	ethyl quinoline-3-carboxylate

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Computed Properties

IUPAC Name:	ethyl quinoline-3-carboxylate
Description:	Ethyl 3-quinolinecarboxylate (CAS# 50741-46-3) is a useful research chemical.
Molecular Weight:	201.22
Molecular Formula:	C12H11NO2
Canonical SMILES:	CCOC(=O)C1=CC2=CC=CC=C2N=C1
InChI:	InChI=1S/C12H11NO2/c1-2-15-12(14)10-7-9-5-3-4-6-11(9)13-8-10/h3-8H,2H2,1H3
InChI Key:	OTTDACPMYLDVTL-UHFFFAOYSA-N
Boiling Point:	120 °C / 0.4 mmHg (lit.)
Density:	1.175 g/cm³
MDL:	MFCD00957421
LogP:	2.41150

Publication Number	Title	Priority Date
WO-2020242935-A1	Methods of treatment for cystic fibrosis	20190529
WO-2020102346-A1	Methods of treatment for cystic fibrosis	20181114
WO-2020063727-A1	Tricyclic ring ask1 inhibitors and use thereof	20180930
EP-3470415-A1	5-membered heterocycle fused with [3,4-d]pyridazinone, and manufacturing method, pharmaceutical composition, and application thereof	20160524
US-2019135818-A1	5-membered heterocycle fused with [3,4-d] pyridazinone, and manufacturing method, pharmaceutical composition, and application thereof	20160524

PMID	Publication Date	Title	Journal
17154519	20061116	Small-molecule inhibitors of histone acetyltransferase activity: identification and biological properties	Journal of medicinal chemistry

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Related Functional Groups

Quinoline/Isoquinoline

[203506-30-3]
2-Amino-6-methoxy-3-methylquinoline
[938459-19-9]
2-Chloro-4-methyl-7-(methylthio)quinoline
[361982-79-8]
2-Chloro-4-methyl-7,8-dihydro-6H-cyclopenta[g]quinoline
[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
[1535306-28-5]
6-Fluoro-8-iodoquinolin-2(1H)-one

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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:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.078978594
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	201.078978594
Rotatable Bond Count:	3
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6