<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">335426</id>
  <title nil="true"/>
  <common-name>1-ethyl-4-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline</common-name>
  <description>1-ethyl-4-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline is a chemical compound with the formula C23H23N2+. It has an average molecular weight of 327.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>4193575</pubchem-id>
  <chemical-formula>C23H23N2+</chemical-formula>
  <weight>327.4</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">2026-08-30T17:35:54Z</created-at>
  <updated-at type="dateTime">2026-08-30T17:35:54Z</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>CCN1C=CC(=CC2=CC=[N+](C3=CC=CC=C23)CC)C4=CC=CC=C41</moldb-smiles>
  <moldb-formula>C23H23N2+</moldb-formula>
  <moldb-inchi>InChI=1S/C23H23N2/c1-3-24-15-13-18(20-9-5-7-11-22(20)24)17-19-14-16-25(4-2)23-12-8-6-10-21(19)23/h5-17H,3-4H2,1-2H3/q+1</moldb-inchi>
  <moldb-inchikey>PBYSOAALDIVUSK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">327.1861237</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.1</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>CHEM331319</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>1-ethyl-4-[(1-ethylquinolin-1-ium-4-yl)methylidene]quinoline</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>Quinolones and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0285898</sync-id>
  <structure-inchikey>PBYSOAALDIVUSK-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20200000000000800000000000000000000000000040000000000000000000004002000000000001008000000000000000000000000001880100000000000001001000000000000000000000000000000000800200000000000000000000000000000000000000000000080000000000000100000440000180001000000000000040000008800000000000000000000000100100000100000000000000020100000000000000040000080000000000000000000000000000100000200000000000040000000000000000010000000000000000000000000200000080000000004000808000000040000000000000000100000000000000000000000000</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�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:37:07Z</structure-indexed-at>
</compound>
