Compound Identification
SMILES
[O-][N+](=O)C1=CC(Cl)=C(NC2=COC(=N2)N2C(CC3=CC=CC=C3NC3=C(Cl)C=CC=C3Cl)=NC3=C(C=C(Br)C=C3)C2=O)C=C1
InChIKey
InChIKey=NKCUPASHWCKSGV-UHFFFAOYSA-N
Formula
C30H18BrCl3N6O4
Mass
712.77
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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 Dichlorobenzenes Aniline and substituted anilines Pyrimidones 2,4-disubstituted oxazoles Imidolactams Primary aromatic amines Aryl chlorides Aryl bromides Heteroaromatic compounds Lactams Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Secondary amines Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - Nitrobenzene - Nitroaromatic compound - 1,3-dichlorobenzene - Aniline or substituted anilines - 2,4-disubstituted 1,3-oxazole - Chlorobenzene - Halobenzene - Pyrimidone - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Primary aromatic amine - Pyrimidine - Benzenoid - Imidolactam - Azole - Heteroaromatic compound - Oxazole - Organic nitro compound - Lactam - C-nitro compound - Secondary amine - Azacycle - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - 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