Compound Identification
SMILES
COC1=CC(N)=C(Cl)C=C1C(=O)OCCN1CCC(CN2C(=O)C3=CC=CC4=C(N)C=CC(C2=O)=C34)CC1
InChIKey
InChIKey=XGROYDBQYXXGJQ-UHFFFAOYSA-N
Formula
C28H29ClN4O5
Mass
537.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Isoquinolines and derivatives
- Subclass Isoquinolones and derivatives
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Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Isoquinolones and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolones and derivatives
Alternative Parents
O-methoxybenzoic acids and derivatives 3-halobenzoic acids and derivatives Benzoic acid esters Aminobenzoic acids and derivatives Naphthalenes Aminophenyl ethers Methoxyanilines Anisoles Benzoyl derivatives Phenoxy compounds Methoxybenzenes Chlorobenzenes Alkyl aryl ethers Aryl chlorides Piperidines N-substituted carboxylic acid imides Carboxylic acid esters Trialkylamines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
O-methoxybenzoic acid or derivatives - Isoquinolone - Naphthalene - Aminobenzoic acid or derivatives - Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aminophenyl ether - Benzoic acid or derivatives - Methoxyaniline - Phenol ether - Phenoxy compound - Anisole - Benzoyl - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid imide, n-substituted - Piperidine - Carboxylic acid imide - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Ether - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Amine - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
External Descriptors
Not available