Compound Identification
SMILES
COC1=CC=C(C=C1)C1C(C)C(N=C2N1C=C(C=C2Cl)C(F)(F)F)C(O)=O
InChIKey
InChIKey=KHCIECWGKIRMER-UHFFFAOYSA-N
Formula
C18H16ClF3N2O3
Mass
400.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyridopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyridopyrimidines
Alternative Parents
Alpha amino acids and derivatives Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Dihydropyridines Hydropyrimidines Imidolactams Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxamidines Carboximidamides Carboxylic acids Monocarboxylic acids and derivatives Enamines Chloroalkenes Organofluorides Organochlorides Alkyl fluorides Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Pyridopyrimidine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Dihydropyridine - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Imidolactam - Benzenoid - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Enamine - Ether - Chloroalkene - Haloalkene - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl chloride - Vinyl halide - Carboximidamide - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Alkyl halide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available