<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">335627</id>
  <title nil="true"/>
  <common-name>3-(1-ethyl-3,6-dihydro-2h-pyridin-4-yl)-1-(2-methylphenyl)isoquinoline</common-name>
  <description>3-(1-ethyl-3,6-dihydro-2h-pyridin-4-yl)-1-(2-methylphenyl)isoquinoline is a chemical compound with the formula C23H24N2. It has an average molecular weight of 328.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3021923</pubchem-id>
  <chemical-formula>C23H24N2</chemical-formula>
  <weight>328.4</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">2026-08-30T17:50:05Z</created-at>
  <updated-at type="dateTime">2026-08-30T17:50:05Z</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>CCN1CCC(=CC1)C2=CC3=CC=CC=C3C(=N2)C4=CC=CC=C4C</moldb-smiles>
  <moldb-formula>C23H24N2</moldb-formula>
  <moldb-inchi>InChI=1S/C23H24N2/c1-3-25-14-12-18(13-15-25)22-16-19-9-5-7-11-21(19)23(24-22)20-10-6-4-8-17(20)2/h4-12,16H,3,13-15H2,1-2H3</moldb-inchi>
  <moldb-inchikey>RFNBGILNPDLDSJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">328.1939488</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>CHEM331520</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>3-(1-ethyl-3,6-dihydro-2h-pyridin-4-yl)-1-(2-methylphenyl)isoquinoline</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>Pyridines and derivatives</klass>
  <subklass>Phenylpyridines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0286096</sync-id>
  <structure-inchikey>RFNBGILNPDLDSJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000000000800000000000000200000000000000000000000000000000000002800000100000008000002000001000000000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000040000800000040100000010000020100000000000880000000000000000042000001800000000000000000020000000100000000000000000000020000000000040000040000080100000000000000000000008000000000022000400000040000000001000000000000000000000000002000200200000004010000000100000001000040000000000000000000000000000001000000000000</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�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:37:18Z</structure-indexed-at>
</compound>
