Compound Identification
SMILES
OC(=O)C(F)(F)F.NC1=NC2=C(CCC(C2)C2=CC=C(F)C=C2)C(=N1)N1C[C@H]2CCCN[C@H]2C1
InChIKey
InChIKey=PIECONPQFCHIME-SXJWIXPASA-N
Formula
C23H27F4N5O2
Mass
481.496
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Diazanaphthalenes
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Subclass
Benzodiazines
- Level 5 Quinazolines
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Subclass
Benzodiazines
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Class
Diazanaphthalenes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Not available
Direct Parent
Quinazolines
Alternative Parents
Pyrrolopyridines Dialkylarylamines Aminopyrimidines and derivatives Fluorobenzenes Pyridines and derivatives Piperidines Aryl fluorides Imidolactams Pyrrolidines Alpha-halocarboxylic acids Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Primary amines Alkyl fluorides
Molecular Framework
Not available
Substituents
Quinazoline - Pyrrolopyridine - Dialkylarylamine - Halobenzene - Fluorobenzene - Aminopyrimidine - Piperidine - Pyridine - Pyrimidine - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Imidolactam - Benzenoid - Alpha-halocarboxylic acid or derivatives - Pyrrolidine - Alpha-halocarboxylic acid - Heteroaromatic compound - Tertiary amine - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
External Descriptors
Not available