loading...| Preferred Name |
isoquinoline |
|
| Synonyms |
Isoquinoline isoquinoline ISOQUINOLINE 2-benzazine Isochinolin 2-Benzazine Benzo[c]pyridine |
|
| Definitions |
An ortho-fused heteroarene that is a benzopyridine in which the N atom not directly attached to the benzene ring. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_16092 |
|
| charge |
0 |
|
| database_cross_reference |
MetaCyc:ISOQUINOLINE Beilstein:107549 PDBeChem:ISQ DrugBank:DB04329 Reaxys:107549 CAS:119-65-3 Wikipedia:Isoquinoline KEGG:C06323 HMDB:HMDB0034244 Gmelin:3676 |
|
| definition |
An ortho-fused heteroarene that is a benzopyridine in which the N atom not directly attached to the benzene ring. |
|
| formula |
C9H7N |
|
| has_alternative_id |
CHEBI:24920 CHEBI:43484 CHEBI:14479 CHEBI:6051 |
|
| has_exact_synonym |
Isoquinoline isoquinoline ISOQUINOLINE |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
2-benzazine Isochinolin 2-Benzazine Benzo[c]pyridine |
|
| id |
CHEBI:16092 |
|
| in_subset | ||
| inchi |
InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H |
|
| inchikey |
AWJUIBRHMBBTKR-UHFFFAOYSA-N |
|
| label |
isoquinoline |
|
| mass |
129.15860 |
|
| monoisotopicmass |
129.05785 |
|
| notation |
CHEBI:16092 |
|
| prefLabel |
isoquinoline |
|
| smiles |
c1ccc2cnccc2c1 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_24922 http://purl.obolibrary.org/obo/CHEBI_50893 |