Compound Identification
SMILES
N[C@@H]1CN(CC11CC1)C1=C(F)C=C2C(=O)C(=CN([C@@H]3C[C@@H]3F)C2=C1Cl)C(O)=O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC
InChIKey
InChIKey=QAQFRRYCZRZNJU-RSISCTDHSA-N
Formula
C57H87ClF2N4O16
Mass
1157.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Quinolines and derivatives
- Subclass Quinoline carboxylic acids
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Class
Quinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Quinoline carboxylic acids
Intermediate Tree Nodes
Not available
Direct Parent
Quinoline carboxylic acids
Alternative Parents
Fluoroquinolones Hydroquinolones Chloroquinolines Aminoquinolines and derivatives Hydroquinolines Pyridinecarboxylic acids Dialkylarylamines Benzenoids Aryl fluorides Aryl chlorides Vinylogous amides Pyrrolidines Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Not available
Substituents
Quinoline-3-carboxylic acid - Fluoroquinolone - Haloquinoline - Chloroquinoline - Dihydroquinolone - Aminoquinoline - Dihydroquinoline - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzenoid - Pyridine - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Pyrrolidine - Amino acid - Tertiary amine - Amino acid or derivatives - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Primary aliphatic amine - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinoline carboxylic acids. These are quinolines in which the quinoline ring system is substituted by a carboxyl group at one or more positions.
External Descriptors
Not available