Compound Identification
SMILES
COCCNC1=NC=CC(=N1)C1=C(NC(N1)=C1C(Cl)=CC(=O)C=C1Cl)C1=CC(Br)=CC=C1
InChIKey
InChIKey=HQLWFAXRUNMDRV-UHFFFAOYSA-N
Formula
C22H18BrCl2N5O2
Mass
535.22
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
-
Level 7
Quinomethanes
- Level 8 P-quinomethanes
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Level 7
Quinomethanes
-
Level 6
Cyclic ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Cyclic ketones - Quinomethanes
Direct Parent
P-quinomethanes
Alternative Parents
Aminopyrimidines and derivatives Bromobenzenes Aryl bromides Vinylogous halides Imidazolines Heteroaromatic compounds Ketene acetals Vinyl chlorides Azacyclic compounds Enamines Dialkyl ethers Chloroalkenes Hydrocarbon derivatives Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-quinomethane - Aminopyrimidine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - 4-imidazoline - Vinylogous halide - Ketene acetal or derivatives - Azacycle - Chloroalkene - Dialkyl ether - Enamine - Ether - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 4, respectively.
External Descriptors
Not available