CHEBI:143155 - heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate
ChEBI ID CHEBI:143155
Definition A member of the class of quinolines that is quinoline which is substituted by a chloro group at position 5 and by a 2-[(heptan-2-yl)oxy]-2-oxoethoxy group at position 8.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C18H22ClNO3
Net Charge 0
Average Mass 335.830
Monoisotopic Mass 335.12882
InChI InChI=1S/C18H22ClNO3/c1-3-4-5-7-13(2)23-17(21)12-22-16-10-9-15(19)14-8-6-11-20-18(14)16/h6,8-11,13H,3-5,7,12H2,1-2H3
InChIKey COYBRKAVBMYYSF-UHFFFAOYSA-N
SMILES C12=C(C=CC(=C1N=CC=C2)OCC(=O)OC(C)CCCCC)Cl
ChEBI Ontology
Outgoing heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate (CHEBI:143155) is a aromatic ether (CHEBI:35618)
heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate (CHEBI:143155) is a carboxylic ester (CHEBI:33308)
heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate (CHEBI:143155) is a organochlorine compound (CHEBI:36683)
heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate (CHEBI:143155) is a quinolines (CHEBI:26513)
Incoming (R)-cloquintocet-mexyl (CHEBI:143153) is a heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate (CHEBI:143155)
(S)-cloquintocet-mexyl (CHEBI:143154) is a heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate (CHEBI:143155)
IUPAC Name
heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate
Synonyms Sources
1-methylhexyl 2-[(5-chloro-8-quinolinyl)oxy]acetate ChEBI
2-heptyl 2-(5-chloro-8-quinolinyloxy)acetate ChEBI
Last Modified
28 February 2019
General Comment
2019-02-27 Note that this is the entry for material with unspecified stereochemistry. There are separate entries for the individual enantiomers and for the racemate.