<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">321579</id>
  <title nil="true"/>
  <common-name>9-(2-chloro-3-methoxyphenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione</common-name>
  <description>9-(2-chloro-3-methoxyphenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione is a chemical compound with the formula C20H20ClNO3. It has an average molecular weight of 357.80 g/mol.</description>
  <cas>853328-46-8</cas>
  <pubchem-id>24212733</pubchem-id>
  <chemical-formula>C20H20ClNO3</chemical-formula>
  <weight>357.8</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">2026-08-29T21:08:26Z</created-at>
  <updated-at type="dateTime">2026-08-29T21:08:26Z</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=CC(=C1Cl)C2C3=C(CCCC3=O)NC4=C2C(=O)CCC4</moldb-smiles>
  <moldb-formula>C20H20ClNO3</moldb-formula>
  <moldb-inchi>InChI=1S/C20H20ClNO3/c1-25-16-10-2-5-11(20(16)21)17-18-12(6-3-8-14(18)23)22-13-7-4-9-15(24)19(13)17/h2,5,10,17,22H,3-4,6-9H2,1H3</moldb-inchi>
  <moldb-inchikey>OAGRNAAZLHKKAV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">357.1131712</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.9</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>CHEM317472</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>9-(2-chloro-3-methoxyphenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione</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>CED0272297</sync-id>
  <structure-inchikey>OAGRNAAZLHKKAV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000040c0000000000000200000000000001000000000000000000000000000000000000000000000004000000000000000000000200000000001000000000004010000000000000000000000410000000000080000000200000000000000000000101018018000480000008000002000000000000010000000000000000000000000000000000000000000000000000810000020000000000000000000000000000000c0000000000200000000000000000000002010000000000000200210000000000000000000000000000040000000000400000000000020000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(������@(������@h�������@h�������@h�������@(������@(������� ������`�������(�������(�������`�������`�������`�������(�������(�������h��������(�������(�������(�������(�������`�������`�������`����������� ��h���h���h���h���h�����	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:26:21Z</structure-indexed-at>
</compound>
