Compound Identification
SMILES
CC1=CC(F)=C(C=C1)C(=O)C1=C\C(C(=O)C=C1)=C1\NC(N)=NC(OCCN2CCC(O)CC2)=C1
InChIKey
InChIKey=PXDWWFMAFKQBFR-VZCXRCSSSA-N
Formula
C25H27FN4O4
Mass
466.513
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 O-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
O-quinomethanes
Alternative Parents
Aryl ketones Benzoyl derivatives Halotoluenes Fluorobenzenes Aryl fluorides Hydropyrimidines Piperidines Vinylogous halides Vinylogous amides Ketene acetals Secondary alcohols Guanidines Trialkylamines Carboximidamides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Halotoluene - Benzoyl - Aryl ketone - O-quinomethane - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - 1,6-dihydropyrimidine - Piperidine - Vinylogous amide - Vinylogous halide - Guanidine - Ketene acetal or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Amine - Alcohol - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.
External Descriptors
Not available