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2-Oxo-1,2-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester

2-Oxo-1,2-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester - CAS 5174-90-3

Catalog:	BB027569
Product Name:	2-Oxo-1,2-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester
CAS:	5174-90-3
Synonyms:	ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
Description:	2-Oxo-1,2-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester (CAS# 5174-90-3) is a useful research chemical.
Molecular Weight:	218.21
Molecular Formula:	C11H10N2O3
Canonical SMILES:	CCOC(=O)C1=CC2=C(NC1=O)N=CC=C2
InChI:	InChI=1S/C11H10N2O3/c1-2-16-11(15)8-6-7-4-3-5-12-9(7)13-10(8)14/h3-6H,2H2,1H3,(H,12,13,14)
InChI Key:	PIHWQJBFCRABCQ-UHFFFAOYSA-N
Boiling Point:	452.9 °C at 760 mmHg
Density:	1.303 g/cm³
Appearance:	Solid
MDL:	MFCD06659016
LogP:	1.51210

Publication Number	Title	Priority Date
CA-3069311-A1	5-membered and bicyclic heterocyclic amides as inhibitors of rock	20170712
CN-110869363-A	5-membered and bicyclic heterocyclic amides as ROCK inhibitors	20170712
EP-3652168-A1	5-membered and bicyclic heterocyclic amides as inhibitors of rock	20170712
KR-20200028423-A	5-membered and bicyclic heterocyclic amides as inhibitors of ROCK	20170712
TW-201908293-A	5 members of ROCK inhibitor and bicyclic heterocyclic guanamine	20170712

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Related Functional Groups

Carbonyl Compounds

[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Naphthyridines

[1319738-39-0]
(R)-4-((R)-1-((7-(3,4,5-Trimethoxyphenyl)-1,6-naphthyridin-5-yl)oxy)ethyl)pyrrolidin-2-one
[679392-23-5]
tert-butyl 7-chloro-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate
[959617-49-3]
1,5-Naphthyridine-3-carbaldehyde
[1142927-37-4]
1,5-Naphthyridine-3-carbonitrile
[952059-69-7]
8-Chloro-3-methoxy-[1,5]naphthyridine
[7675-32-3]
2-Methyl-1,5-naphthyridine

Complexity:	338
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.06914219
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	218.06914219
Rotatable Bond Count:	3
Topological Polar Surface Area:	68.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1