Compound Identification
SMILES
CC1=CC(F)=C(C=C1)C(=O)C1=C\C(C(=O)C=C1)=C1\NC(N)=NC(OCCN2CCN(CCO)CC2)=C1
InChIKey
InChIKey=MJHPMCSQPWSOHD-XDOYNYLZSA-N
Formula
C26H30FN5O4
Mass
495.555
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 N-alkylpiperazines Fluorobenzenes Aryl fluorides Hydropyrimidines Vinylogous halides Vinylogous amides Trialkylamines 1,2-aminoalcohols Ketene acetals Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Primary alcohols Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - Halotoluene - Benzoyl - Aryl ketone - Halobenzene - Toluene - N-alkylpiperazine - Fluorobenzene - 1,6-dihydropyrimidine - Hydropyrimidine - Piperazine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Vinylogous amide - Vinylogous halide - Tertiary aliphatic amine - Guanidine - Ketene acetal or derivatives - Tertiary amine - 1,2-aminoalcohol - Alkanolamine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Amine - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organonitrogen compound - Organofluoride - Organohalogen compound - 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