Compound Identification
SMILES
COC1=C(C)C(=O)C2=C(C(CO)N3C(C#N)[C@H]4C[C@@H]5C(N4)C3C2N2CCOC52)C1=O
InChIKey
InChIKey=UVAIYWZSCCGGSE-KWKRCTCSSA-N
Formula
C21H24N4O5
Mass
412.446
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass Isoquinoline quinones
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Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Isoquinoline quinones
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinoline quinones
Alternative Parents
Isoquinolones and derivatives Naphthyridines Piperazinopiperidines N-alkylpiperazines Azepanes Piperidines Oxazolidines Vinylogous esters Pyrrolidines Alpha-aminonitriles Ketones Hemiaminals Trialkylamines Azacyclic compounds Oxacyclic compounds Dialkylamines Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Isoquinoline quinone - Isoquinolone - Naphthyridine - Piperazino-3,4-b-piperidine - Azepane - N-alkylpiperazine - 1,4-diazinane - Piperazine - Piperidine - Oxazolidine - Vinylogous ester - Pyrrolidine - Hemiaminal - Ketone - Alpha-aminonitrile - Tertiary aliphatic amine - Tertiary amine - Secondary amine - Azacycle - Secondary aliphatic amine - Oxacycle - Nitrile - Carbonitrile - Carbonyl group - Cyanide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Amine - Alcohol - Primary alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinoline quinones. These are isoquinoline derivative with a structure containing a 5,8-dihydroisoquinoline-5,8-dione skeleton.
External Descriptors
Not available