Compound Identification
SMILES
CCOC(=O)C1=C(SC2=C1CCCC2)N1C(=O)\C(=C\NC2=CC=CC=C2C(=O)OCC)C2=CC=CC=C2C1=O
InChIKey
InChIKey=QMMYYQVXPLJKPD-OQKWZONESA-N
Formula
C30H28N2O6S
Mass
544.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Isoquinolines and derivatives
- Subclass 1,3-isoquinolinediones
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Class
Isoquinolines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
1,3-isoquinolinediones
Intermediate Tree Nodes
Not available
Direct Parent
1,3-isoquinolinediones
Alternative Parents
Isoquinolones and derivatives Aminobenzoic acids and derivatives Tetrahydroisoquinolines Benzoic acid esters Thiophene carboxylic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Secondary alkylarylamines N-substituted carboxylic acid imides Dicarboximides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Enamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-isoquinolinedione - Isoquinolone - Aminobenzoic acid or derivatives - Benzoate ester - Tetrahydroisoquinoline - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Thiophene carboxylic acid or derivatives - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Vinylogous amide - Thiophene - Heteroaromatic compound - Carboxylic acid imide - Dicarboximide - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Carboxylic acid derivative - Azacycle - Enamine - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-isoquinolinediones. These are isoquinoline derivatives carrying one C=O group at positions 1, and 3 respectively.
External Descriptors
Not available