Compound Identification
SMILES
COCC1=C(C=CC=C1N1CCC2=C(C(F)=CC(=C2)C2CC2)C1=O)C(=C)N=C(NC1=CC=C(OCCCN(C)C)C=C1)N=C(N)C=C
InChIKey
InChIKey=FFKAFWYRKDONBZ-UHFFFAOYSA-N
Formula
C37H43FN6O3
Mass
638.788
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Tetrahydroisoquinolines Benzylethers Styrenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Aryl fluorides Vinylogous halides Tertiary carboxylic acid amides Trialkylamines Lactams Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Carboximidamides Carboxamidines Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Tetrahydroisoquinoline - Benzylether - Phenoxy compound - Styrene - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Vinylogous halide - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Lactam - Carboxamide group - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Ether - Dialkyl ether - Carboxylic acid derivative - Carboxylic acid amidine - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - 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