Compound Identification
SMILES
CC1=CC(=CC=C1)N1C(NC2=C(C=C(I)C=C2)C1=O)C1=C(C=CC(Cl)=C1)[N+]([O-])=O
InChIKey
InChIKey=CVLYQLOMQDVKGZ-UHFFFAOYSA-N
Formula
C21H15ClIN3O3
Mass
519.72
Taxonomic Classification
Taxonomy Tree
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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
Nitrobenzenes Nitroaromatic compounds Toluenes Secondary alkylarylamines Chlorobenzenes Aryl chlorides Aryl iodides Vinylogous amides Tertiary carboxylic acid amides Amino acids and derivatives Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic zwitterions Organochlorides Organoiodides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - Nitrobenzene - Nitroaromatic compound - Secondary aliphatic/aromatic amine - Toluene - Halobenzene - Chlorobenzene - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Vinylogous amide - Tertiary carboxylic acid amide - Organic nitro compound - Lactam - C-nitro compound - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organic zwitterion - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organoiodide - 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