<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">331384</id>
  <title nil="true"/>
  <common-name>2-[4-(3-chloropropyl)piperazin-1-yl]-4-phenylquinoline</common-name>
  <description>2-[4-(3-chloropropyl)piperazin-1-yl]-4-phenylquinoline is a chemical compound with the formula C22H24ClN3. It has an average molecular weight of 365.90 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3024976</pubchem-id>
  <chemical-formula>C22H24ClN3</chemical-formula>
  <weight>365.9</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">2026-08-30T12:10:52Z</created-at>
  <updated-at type="dateTime">2026-08-30T12:10:52Z</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>C1CN(CCN1CCCCl)C2=NC3=CC=CC=C3C(=C2)C4=CC=CC=C4</moldb-smiles>
  <moldb-formula>C22H24ClN3</moldb-formula>
  <moldb-inchi>InChI=1S/C22H24ClN3/c23-11-6-12-25-13-15-26(16-14-25)22-17-20(18-7-2-1-3-8-18)19-9-4-5-10-21(19)24-22/h1-5,7-10,17H,6,11-16H2</moldb-inchi>
  <moldb-inchikey>URYLDSLZOYJCKZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">365.1658755</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5</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>CHEM327277</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>2-[4-(3-chloropropyl)piperazin-1-yl]-4-phenylquinoline</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>CED0281920</sync-id>
  <structure-inchikey>URYLDSLZOYJCKZ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2080000000000000000000000000000000000200000000000000004000000000000000800000200400010000000000000000000000000000010000000000400000000000000000000400000000000000000000800000000000000000000000000000000010000000000002010000000040000000000000000000000000000080400400000000400080010000010000000000000000010001000000000000000004000008000000000000000008800000a000000800000000000000040000000000000000000000000010000000000000000200000000010000000000000001000040000000010008001000000000000000000000000000</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��������������������������������	��
 
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  <structure-indexed-at type="dateTime">2026-09-19T05:33:52Z</structure-indexed-at>
</compound>
