CHEBI:18350 - isoquinolin-1(2H)-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name isoquinolin-1(2H)-one
ChEBI ID CHEBI:18350
ChEBI ASCII Name isoquinolin-1(2H)-one
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:471, CHEBI:14478, CHEBI:18848
Supplier Information
Download Molfile XML SDF
Formula C9H7NO
Net Charge 0
Average Mass 145.15802
Monoisotopic Mass 145.05276
InChI InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)
InChIKey VDBNYAPERZTOOF-UHFFFAOYSA-N
SMILES O=c1[nH]ccc2ccccc12
ChEBI Ontology
Outgoing isoquinolin-1(2H)-one (CHEBI:18350) is a isoquinolines (CHEBI:24922)
IUPAC Name
isoquinolin-1(2H)-one
Synonyms Sources
1(2H)-isoquinolinone ChEBI
1(2H)-Isoquinolinone KEGG COMPOUND
Isoquinolin-1(2H)-one KEGG COMPOUND
isoquinolin-1(2H)-one UniProt
Manual Xref Database
C06324 KEGG COMPOUND
View more database links
Registry Number Type Source
491-30-5 CAS Registry Number KEGG COMPOUND
Last Modified
07 July 2015