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Ethyl 3-Oxo-2,3-dihydroisoquinoline-4-carboxylate

Ethyl 3-Oxo-2,3-dihydroisoquinoline-4-carboxylate - CAS 1628319-78-7

Name: Ethyl 3-Oxo-2,3-dihydroisoquinoline-4-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011912
Product Name:	Ethyl 3-Oxo-2,3-dihydroisoquinoline-4-carboxylate
CAS:	1628319-78-7
Synonyms:	3-oxo-2H-isoquinoline-4-carboxylic acid ethyl ester; ethyl 3-oxo-2H-isoquinoline-4-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 3-oxo-2H-isoquinoline-4-carboxylate
Description:	Ethyl 3-Oxo-2,3-dihydroisoquinoline-4-carboxylate (CAS# 1628319-78-7 ) is a useful research chemical.
Molecular Weight:	217.22
Molecular Formula:	C12H11NO3
Canonical SMILES:	CCOC(=O)C1=C2C=CC=CC2=CNC1=O
InChI:	InChI=1S/C12H11NO3/c1-2-16-12(15)10-9-6-4-3-5-8(9)7-13-11(10)14/h3-7H,2H2,1H3,(H,13,14)
InChI Key:	JUEHCZZDTZEXGD-UHFFFAOYSA-N

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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Publication Number	Title	Priority Date
AU-2014240388-A1	Substituted 7-azabicycles and their use as orexin receptor modulators	20130313
AU-2014248680-A1	Substituted 2-azabicycles and their use as orexin receptor modulators	20130313
AU-2014248680-B2	Substituted 2-azabicycles and their use as orexin receptor modulators	20130313
AU-2018204835-A1	Substituted 2-azabicycles and their use as orexin receptor modulators	20130313
AU-2018204835-B2	Substituted 2-azabicycles and their use as orexin receptor modulators	20130313

Complexity:	467
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:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	217.07389321
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1