Methyl 6-Quinolineacetate - CAS 5622-36-6

Catalog:	BB029299
Product Name:	Methyl 6-Quinolineacetate
CAS:	5622-36-6
Synonyms:	2-(6-quinolinyl)acetic acid methyl ester; methyl 2-quinolin-6-ylacetate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-quinolin-6-ylacetate
Description:	Methyl 6-Quinolineacetate (CAS# 5622-36-6) is a reactuant to prepare triazolopyridazines as tyrosine kinase modulators.
Molecular Weight:	201.22
Molecular Formula:	C12H11NO2
Canonical SMILES:	COC(=O)CC1=CC2=C(C=C1)N=CC=C2
InChI:	InChI=1S/C12H11NO2/c1-15-12(14)8-9-4-5-11-10(7-9)3-2-6-13-11/h2-7H,8H2,1H3
InChI Key:	PCUOFKCRVNHDEB-UHFFFAOYSA-N
Boiling Point:	560.2 °C at 760 mmHg
Density:	1.194 g/cm³
LogP:	1.95030

Publication Number	Title	Priority Date
WO-2020251871-A2	Novel substituted tetrahydroquinolin compounds as indoleamine 2,3-dioxygenase (ido) inhibitors	20190611
WO-2019089412-A1	Novel substituted tetrahydroquinolin compounds as indoleamine 2,3-dioxygenase (ido) inhibitors	20171101
EP-3703692-A1	Novel substituted tetrahydroquinolin compounds as indoleamine 2,3-dioxygenase (ido) inhibitors	20171101
US-2021179607-A1	Novel substituted tetrahydroquinolin compounds as indoleamine 2,3-dioxygenase (ido) inhibitors	20171101
AU-2017319500-A1	Inhibitors of cellular metabolic processes	20160831

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2