Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazanaphthalenes

Subclass

Benzodiazines

Intermediate Tree Nodes

Not available

Direct Parent

Quinazolines

Alternative Parents

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

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