<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">312275</id>
  <title nil="true"/>
  <common-name>4-(4-methylpiperazin-1-yl)-2-thiophen-2-ylquinoline</common-name>
  <description>4-(4-methylpiperazin-1-yl)-2-thiophen-2-ylquinoline is a chemical compound with the formula C18H19N3S. It has an average molecular weight of 309.40 g/mol.</description>
  <cas>156095-20-4</cas>
  <pubchem-id>453076</pubchem-id>
  <chemical-formula>C18H19N3S</chemical-formula>
  <weight>309.4</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">2026-08-29T08:36:50Z</created-at>
  <updated-at type="dateTime">2026-08-29T08:36:50Z</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>CN1CCN(CC1)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4</moldb-smiles>
  <moldb-formula>C18H19N3S</moldb-formula>
  <moldb-inchi>InChI=1S/C18H19N3S/c1-20-8-10-21(11-9-20)17-13-16(18-7-4-12-22-18)19-15-6-3-2-5-14(15)17/h2-7,12-13H,8-11H2,1H3</moldb-inchi>
  <moldb-inchikey>OHIXLXNUKMHJJF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">309.1299688</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.5</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>CHEM308168</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-(4-methylpiperazin-1-yl)-2-thiophen-2-ylquinoline</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>Diazinanes</klass>
  <subklass>Piperazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0263215</sync-id>
  <structure-inchikey>OHIXLXNUKMHJJF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000000000200000000000000000000000000000000000100000100400000000000400000001000000000000021040001004000000000000000000000000000000000000000000000000000000000000000100000000000000000000000000000000000000000000000001000002000000201000000000008000000000000000000c0000000804000000000024000000000000100000000080000000000000100000000000200040000080000000000000000000000008001000800000000000001042000000000000000000000000000000000000000000200000000000000000000000001000040000000000000000000000000000000000000000000</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�	� ��h���h���h���h������h���h���h�B�������������	
�������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:19:15Z</structure-indexed-at>
</compound>
