Compound Identification
SMILES
[Cl-].CCCCOC(=O)C1=CC=CC=C1NC1=NC2=[N+](C=C1Br)C(=O)C1=CC=CC=C1N2
InChIKey
InChIKey=GRJICLGBEFYUOB-UHFFFAOYSA-N
Formula
C22H20BrClN4O3
Mass
503.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazanaphthalenes
-
Subclass
Benzodiazines
- Level 5 Quinazolines
-
Subclass
Benzodiazines
-
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
Benzoic acid esters Aniline and substituted anilines Benzoyl derivatives Pyrimidones Aminopyrimidines and derivatives Halopyrimidines Aryl bromides Imidolactams Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Lactams Carboxylic acid esters Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic chloride salts Organic oxides Organic zwitterions Organobromides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Quinazoline - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Aminopyrimidine - Halopyrimidine - Pyrimidone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Lactam - Azacycle - Secondary amine - Carboxylic acid derivative - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic chloride salt - Organic zwitterion - Amine - Organonitrogen compound - Organohalogen compound - Organobromide - 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