Compound Identification
SMILES
CCOC1=CC=C(C=C1)N1C(=O)C2=CC=CC=C2N=C1C(CCNS(=O)(=O)C1=CC=CS1)N(CCCN1CCCC1)C(=O)CC1=CC(F)=C(C=C1)C(F)(F)F
InChIKey
InChIKey=VGQQEGUUODJQLQ-UHFFFAOYSA-N
Formula
C39H41F4N5O5S2
Mass
799.9
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
Trifluoromethylbenzenes Phenylacetamides Phenol ethers Phenoxy compounds Alkyl aryl ethers Fluorobenzenes Pyrimidones Aryl fluorides N-alkylpyrrolidines Organosulfonamides Heteroaromatic compounds Thiophenes Aminosulfonyl compounds Tertiary carboxylic acid amides Lactams Trialkylamines Amino acids and derivatives Azacyclic compounds Organic oxides Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Phenylacetamide - Quinazoline - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrimidine - Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Thiophene - Pyrrolidine - Tertiary carboxylic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Lactam - Carboxylic acid derivative - Ether - Azacycle - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Alkyl halide - Amine - Organosulfur compound - Organic oxygen compound - Alkyl fluoride - 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