<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-22 06:55:21 UTC</creation_date>
  <update_date>2026-08-18 04:25:33 UTC</update_date>
  <accession/>
  <common_name>5,7-Dichloro-8-hydroxy-2-methylquinoline</common_name>
  <class>SmallMolecule</class>
  <description>5,7-Dichloro-8-hydroxy-2-methylquinoline belongs to the haloquinolines, a subclass of quinolines and derivatives within the organic compounds. This organoheterocyclic compound has the chemical formula C10H7Cl2NO and an average molecular weight of 228.07 g/mol.

The compound is associated with 17 recorded sources across various sectors. Within healthcare, pharmaceuticals, and veterinary products, it is found in antiprotozoals, gynecologicals, throat preparations, and antiseptics and disinfectants. In the category of food, food processing, and cookware, it is utilized for food preservation. Household cleaning and consumer products containing the compound include soap detergents, perfumes within detergents and soaps, and non electric simulated smoking devices. Additionally, it is released from electrical and electronic equipment, specifically electrodes, discharge lamps, antennas, electrically stimulated smoking devices, conductors or conductive bodies characterised by the conductive materials, and four other sources. Cutaneous exposure is the recorded route for this substance.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C10H7Cl2NO</chemical_formula>
  <average_molecular_weight>228.07</average_molecular_weight>
  <monisotopic_moleculate_weight>226.9904692</monisotopic_moleculate_weight>
  <iupac_name>5,7-dichloro-2-methylquinolin-8-ol</iupac_name>
  <traditional_iupac>chlorquinaldol</traditional_iupac>
  <cas_registry_number>72-80-0</cas_registry_number>
  <smiles>CC1=NC2=C(C=C1)C(Cl)=CC(Cl)=C2O</smiles>
  <inchi>InChI=1S/C10H7Cl2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3</inchi>
  <inchikey>GPTXWRGISTZRIO-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organoheterocyclic compounds</super_class>
    <class>Quinolines and derivatives</class>
    <sub_class>Haloquinolines</sub_class>
    <direct_parent>Chloroquinolines</direct_parent>
    <alternate_parents>
      <alternative_parent>8-hydroxyquinolines</alternative_parent>
      <alternative_parent>Aryl chlorides</alternative_parent>
      <alternative_parent>Azacyclic compounds</alternative_parent>
      <alternative_parent>Benzenoids</alternative_parent>
      <alternative_parent>Heteroaromatic compounds</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Methylpyridines</alternative_parent>
      <alternative_parent>Organochlorides</alternative_parent>
      <alternative_parent>Organonitrogen compounds</alternative_parent>
      <alternative_parent>Organooxygen compounds</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>8-hydroxyquinoline</substituent>
      <substituent>Aromatic heteropolycyclic compound</substituent>
      <substituent>Aryl chloride</substituent>
      <substituent>Aryl halide</substituent>
      <substituent>Azacycle</substituent>
      <substituent>Benzenoid</substituent>
      <substituent>Chloroquinoline</substituent>
      <substituent>Heteroaromatic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Methylpyridine</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organochloride</substituent>
      <substituent>Organohalogen compound</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Pyridine</substituent>
    </substituents>
    <molecular_framework>Aromatic heteropolycyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>monohydroxyquinoline</descriptor>
      <descriptor>organochlorine compound</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways>
    <pathway>
      <name>Chlorquinaldol Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0144976</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>3.17</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>3.82</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-3.63</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>5.38e-02 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>3.17</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>6.99</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>5,7-dichloro-2-methylquinolin-8-ol</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>228.07</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>226.9904692</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC1=NC2=C(C=C1)C(Cl)=CC(Cl)=C2O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C10H7Cl2NO</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C10H7Cl2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>GPTXWRGISTZRIO-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>33.12</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>56.16</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>21.62</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bd006a000&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB13306</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>6301</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>6062</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
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</compound>
