Compound Identification
SMILES
OC(=O)C1=CC=C(CN2C3=NN=C(N4CCCC4)N3C3=C(C=C(Br)C=C3)C2=O)C=C1
InChIKey
InChIKey=DBASTGKMLMLOCX-UHFFFAOYSA-N
Formula
C21H18BrN5O3
Mass
468.311
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazanaphthalenes
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Subclass
Benzodiazines
- Level 5 Quinazolines
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Subclass
Benzodiazines
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Class
Diazanaphthalenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Not available
Direct Parent
Quinazolines
Alternative Parents
Triazolopyrimidines Benzoic acids Benzoyl derivatives Dialkylarylamines Pyrimidones Aryl bromides Vinylogous amides Triazoles Pyrrolidines Heteroaromatic compounds Lactams Carboxylic acids Azacyclic compounds Organooxygen compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - Benzoic acid or derivatives - Benzoic acid - Triazolopyrimidine - Benzoyl - Dialkylarylamine - Pyrimidone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Pyrrolidine - Vinylogous amide - Azole - 1,2,4-triazole - Triazole - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organobromide - Organonitrogen compound - Organooxygen 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