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CHEBI:16092 - isoquinoline

ChEBI IDCHEBI:16092
ChEBI Nameisoquinoline
Stars
DefinitionAn ortho-fused heteroarene that is a benzopyridine in which the N atom not directly attached to the benzene ring.
Secondary ChEBI IDsCHEBI:6051, CHEBI:14479, CHEBI:24920, CHEBI:43484
Last Modified7 July 2015
DownloadsMolfile
FormulaC9H7N
Net Charge0
Average Mass129.162
Monoisotopic Mass129.05785
SMILESc1ccc2cnccc2c1
InChIInChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
InChIKeyAWJUIBRHMBBTKR-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
isoquinoline (CHEBI:16092) is a ortho-fused heteroarene (CHEBI:52362)
isoquinoline (CHEBI:16092) is a azaarene (CHEBI:50893)
isoquinoline (CHEBI:16092) is a isoquinolines (CHEBI:24922)
isoquinoline (CHEBI:16092) is a mancude organic heterobicyclic parent (CHEBI:35570)
Incoming Relation(s)
perfluoro-N-methyldecahydroisoquinoline (CHEBI:38859) has parent hydride isoquinoline (CHEBI:16092)
(3R)-7,8-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate (CHEBI:167493) is a isoquinoline (CHEBI:16092)
(3S)-7,8-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate (CHEBI:167492) is a isoquinoline (CHEBI:16092)
IUPAC Name 
isoquinoline
Synonyms  Source
IsoquinolineKEGG COMPOUND
2-BenzazineKEGG COMPOUND
Benzo[c]pyridineKEGG COMPOUND
2-benzazineChEBI
ISOQUINOLINEPDBeChem
IsochinolinNIST Chemistry WebBook
UniProt Name  Source
isoquinolineUniProt
Manual XrefsDatabases
C06323KEGG COMPOUND
C06323KEGG COMPOUND
ISQPDBeChem
DB04329DrugBank
ISOQUINOLINEMetaCyc
IsoquinolineWikipedia
HMDB0034244HMDB
Registry NumbersSources
Gmelin:3676Gmelin
Reaxys:107549Reaxys
CAS:119-65-3KEGG COMPOUND
CAS:119-65-3ChemIDplus
CAS:119-65-3NIST Chemistry WebBook