<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">97128</id>
  <title nil="true"/>
  <common-name>7-(4-Ethyl-1-methyloctyl)quinolin-8-ol</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>166430</pubchem-id>
  <chemical-formula>C20H29NO</chemical-formula>
  <weight>299.4</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">2026-04-05T05:06:28Z</created-at>
  <updated-at type="dateTime">2026-08-20T06:34:14Z</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>CCCCC(CC)CCC(C)C1=CC=C2C=CC=NC2=C1O</moldb-smiles>
  <moldb-formula>C20H29NO</moldb-formula>
  <moldb-inchi>InChI=1/C20H29NO/c1-4-6-8-16(5-2)11-10-15(3)18-13-12-17-9-7-14-21-19(17)20(18)22/h7,9,12-16,22H,4-6,8,10-11H2,1-3H3</moldb-inchi>
  <moldb-inchikey>YWACCMLWVBYNHR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">299.458</moldb-average-mass>
  <moldb-mono-mass type="decimal">299.2249145</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>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>CHEM093021</chemdb-id>
  <dsstox-id>DTXSID80868261</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00059384</susdat-id>
  <iupac>7-(5-ethylnonan-2-yl)quinolin-8-ol</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>8-hydroxyquinolines</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0120696</sync-id>
  <structure-inchikey>YWACCMLWVBYNHR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000000000080000000000000000000000000000034000000040000000000100200000000000000000000200000000000000000c000000000000200000000000000010000010000000000000000000000000000000000001000000000000020050000000000000000000000000800000000000000000000000000000000100040000001800000000000000000000000000000002000000000000000000000000000800000004000080000000008000000080000000000000000000000800000200000002000000000000000000000000000000840000200000000040000000000000001002040000000030000001000000000000000000000000000</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�B���������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:37:25Z</structure-indexed-at>
</compound>
