<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">325219</id>
  <title nil="true"/>
  <common-name>4-methoxy-6-thiophen-2-ylindeno[2,1-c]quinolin-7-one</common-name>
  <description>4-methoxy-6-thiophen-2-ylindeno[2,1-c]quinolin-7-one is a chemical compound with the formula C21H13NO2S. It has an average molecular weight of 343.40 g/mol.</description>
  <cas>128404-83-1</cas>
  <pubchem-id>3080466</pubchem-id>
  <chemical-formula>C21H13NO2S</chemical-formula>
  <weight>343.4</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">2026-08-30T02:54:34Z</created-at>
  <updated-at type="dateTime">2026-08-30T02:54:34Z</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>COC1=CC=CC2=C3C4=CC=CC=C4C(=O)C3=C(N=C21)C5=CC=CS5</moldb-smiles>
  <moldb-formula>C21H13NO2S</moldb-formula>
  <moldb-inchi>InChI=1S/C21H13NO2S/c1-24-15-9-4-8-14-17-12-6-2-3-7-13(12)21(23)18(17)20(22-19(14)15)16-10-5-11-25-16/h2-11H,1H3</moldb-inchi>
  <moldb-inchikey>YLNCGMHEYUMRHG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">343.0666998</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>CHEM321112</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-methoxy-6-thiophen-2-ylindeno[2,1-c]quinolin-7-one</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 nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0275861</sync-id>
  <structure-inchikey>YLNCGMHEYUMRHG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40020000000000020000000000000000000000000008000000000000000040400000000000000020100000008000002100000000000000000000000000000020000000000000000000000000000000000020000010000100000000000000001000000000000000000040010000000000000000000000000000040080000000000001000040000000800800000000000000000080000100000400000000000000000000000000000200040000080000002000000000000000080000000000000080000001042000000000000000000000000000000000000800001200000000000000008000000001000040000000000000000000000020000000000000000000</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�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:29:10Z</structure-indexed-at>
</compound>
