Compound Identification
SMILES
NC1=NC2=C(C(N)=N1)C(Cl)=C(CNC1=CC=C(C=C1)C(=O)NC(CC(O)=O)CC(O)=O)C=C2
InChIKey
InChIKey=RXPPABVUDFQLCG-UHFFFAOYSA-N
Formula
C21H21ClN6O5
Mass
472.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazanaphthalenes
-
Subclass
Benzodiazines
-
Level 5
Quinazolines
- Level 6 Quinazolinamines
-
Level 5
Quinazolines
-
Subclass
Benzodiazines
-
Class
Diazanaphthalenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Quinazolines
Direct Parent
Quinazolinamines
Alternative Parents
Beta amino acids and derivatives Aminobenzamides Benzamides Phenylalkylamines Aniline and substituted anilines Benzoyl derivatives Secondary alkylarylamines Aminopyrimidines and derivatives Imidolactams Aryl chlorides Dicarboxylic acids and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azacyclic compounds Carboxylic acids Primary amines Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Quinazolinamine - Aminobenzamide - Aminobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Phenylalkylamine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Imidolactam - Aryl chloride - Aryl halide - Pyrimidine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Primary amine - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Organooxygen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
External Descriptors
Not available