<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-28 16:39:05 UTC</creation_date>
  <update_date>2026-08-28 16:39:05 UTC</update_date>
  <accession/>
  <common_name>2-(quinolin-4-ylamino)benzoic acid</common_name>
  <class>SmallMolecule</class>
  <description>2-(quinolin-4-ylamino)benzoic acid is an organic compound with the chemical formula $\text{C}_{16}\text{H}_{12}\text{N}_2\text{O}_2$ and an average molecular weight of 264.28 g/mol. 2-(quinolin-4-ylamino)benzoic acid belongs to the aminoquinolines and derivatives, a subclass of quinolines and derivatives within the organic compounds. This substance is further classified under the superclass of organoheterocyclic compounds.

The compound has been identified in or released from six recorded sources across various categories. In the realm of electrical and electronic equipment, it is associated with antennas and video games. It is also found in building and construction materials, specifically floors. Within household cleaning and consumer products, the compound is linked to other smoking requisites and non-electric simulated smoking devices. Additionally, it has been recorded in the context of food, food processing and cookware, specifically regarding the preparation of vinegar.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C16H12N2O2</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>264.0898776</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>52180-97-9</cas_registry_number>
  <smiles>C1=CC=C2C(=C1)C(=CC=N2)NC3=CC=CC=C3C(=O)O</smiles>
  <inchi>InChI=1S/C16H12N2O2/c19-16(20)12-6-2-4-8-14(12)18-15-9-10-17-13-7-3-1-5-11(13)15/h1-10H,(H,17,18)(H,19,20)</inchi>
  <inchikey>VAYWXCMEIWUYBK-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>3.8</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>264.0898776</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>C1=CC=C2C(=C1)C(=CC=N2)NC3=CC=CC=C3C(=O)O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C16H12N2O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C16H12N2O2/c19-16(20)12-6-2-4-8-14(12)18-15-9-10-17-13-7-3-1-5-11(13)15/h1-10H,(H,17,18)(H,19,20)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>VAYWXCMEIWUYBK-UHFFFAOYSA-N</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:0x00007f7220906228&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>3040440</pubchem_compound_id>
  <chembl_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
