<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">311622</id>
  <title nil="true"/>
  <common-name>4-(6-chloro-1-methylquinolin-1-ium-2-yl)-n,n-dimethylaniline</common-name>
  <description>4-(6-chloro-1-methylquinolin-1-ium-2-yl)-n,n-dimethylaniline is a chemical compound with the formula C18H18ClN2+. It has an average molecular weight of 297.80 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>212938</pubchem-id>
  <chemical-formula>C18H18ClN2+</chemical-formula>
  <weight>297.8</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-29T07:55:40Z</created-at>
  <updated-at type="dateTime">2026-08-29T07:55:40Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>C[N+]1=C(C=CC2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)N(C)C</moldb-smiles>
  <moldb-formula>C18H18ClN2+</moldb-formula>
  <moldb-inchi>InChI=1S/C18H18ClN2/c1-20(2)16-8-4-13(5-9-16)17-10-6-14-12-15(19)7-11-18(14)21(17)3/h4-12H,1-3H3/q+1</moldb-inchi>
  <moldb-inchikey>CEAZQBKEWKXPJC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">297.1158513</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.7</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM307515</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>4-(6-chloro-1-methylquinolin-1-ium-2-yl)-n,n-dimethylaniline</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Quinolines and derivatives</klass>
  <subklass>Phenylquinolines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0262572</sync-id>
  <structure-inchikey>CEAZQBKEWKXPJC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000100080000000000000000000000000800001000000000000000000000000000001000002000000000000000020400000000000000000000000000040081000000000004080000000000000000080000000000000104000800000000000000080000000000000000000000040000008008000000000000000900000000000000010000000000000000000000000000000000000180000000000000000000000000000000000000000000000000000000000000000000000000010000800000000000200000000000000000000000021000040000000000010000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������`*�������@(������@h�������@h�������@(������@(������@h�������@h�������@(������@h�������� �����@(������@h�������@h�������@(������@h�������@h��������(�������`�������`�����������h���h���h���h���h���h���h��	h�	
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������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:18:45Z</structure-indexed-at>
</compound>
