CHEBI:188616 - 2-Chloro-4-(3-pyridinyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name 2-Chloro-4-(3-pyridinyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
ChEBI ID CHEBI:188616
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H12ClN3
Net Charge 0
Average Mass 269.730
Monoisotopic Mass 269.07198
InChI InChI=1S/C15H12ClN3/c16-15-12(8-17)14(10-4-3-7-18-9-10)11-5-1-2-6-13(11)19-15/h3-4,7,9H,1-2,5-6H2
InChIKey JYRPSSHLWQDHPL-UHFFFAOYSA-N
SMILES ClC1=NC2=C(CCCC2)C(=C1C#N)C=3C=CC=NC3
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
ChEBI Ontology
Outgoing 2-Chloro-4-(3-pyridinyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile (CHEBI:188616) is a bipyridines (CHEBI:50511)
IUPAC Name
2-chloro-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Manual Xref Database
25583365 ChemSpider
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