Compound Identification
SMILES
CC1(C)C(=O)NC(=O)C2=C1C=CC1=C2N=C(NC2=C(Br)C=C(Br)C=C2Br)N1
InChIKey
InChIKey=KYQOAPIJIRYMIR-UHFFFAOYSA-N
Formula
C18H13Br3N4O2
Mass
557.04
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 Tetrahydroisoquinolines Benzimidazoles Aniline and substituted anilines Bromobenzenes Aminoimidazoles Aryl bromides N-unsubstituted carboxylic acid imides Dicarboximides Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Secondary amines Hydrocarbon derivatives Organic oxides Carbonyl compounds Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-isoquinolinedione - Isoquinolone - Tetrahydroisoquinoline - Benzimidazole - Aniline or substituted anilines - Bromobenzene - Halobenzene - Aminoimidazole - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid imide, n-unsubstituted - Heteroaromatic compound - Imidazole - Dicarboximide - Carboxylic acid imide - Azole - Amino acid or derivatives - Azacycle - Secondary amine - Carboxylic acid derivative - Organobromide - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Organohalogen 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