<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">313661</id>
  <title nil="true"/>
  <common-name>8-ethoxy-5-methyl-3-(4-methylpiperazin-1-yl)pyridazino[3,4-b][1,4]benzoxazine</common-name>
  <description>8-ethoxy-5-methyl-3-(4-methylpiperazin-1-yl)pyridazino[3,4-b][1,4]benzoxazine is a chemical compound with the formula C18H23N5O2. It has an average molecular weight of 341.40 g/mol.</description>
  <cas>62637-28-9</cas>
  <pubchem-id>6410499</pubchem-id>
  <chemical-formula>C18H23N5O2</chemical-formula>
  <weight>341.4</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">2026-08-29T10:30:54Z</created-at>
  <updated-at type="dateTime">2026-08-29T10:30:54Z</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>CCOC1=CC2=C(C=C1)N(C3=CC(=NN=C3O2)N4CCN(CC4)C)C</moldb-smiles>
  <moldb-formula>C18H23N5O2</moldb-formula>
  <moldb-inchi>InChI=1S/C18H23N5O2/c1-4-24-13-5-6-14-16(11-13)25-18-15(22(14)3)12-17(19-20-18)23-9-7-21(2)8-10-23/h5-6,11-12H,4,7-10H2,1-3H3</moldb-inchi>
  <moldb-inchikey>TUBWLNXTIJPBLY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">341.185175</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.1</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>CHEM309554</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>8-ethoxy-5-methyl-3-(4-methylpiperazin-1-yl)pyridazino[3,4-b][1,4]benzoxazine</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>Organic nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>Amines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0264564</sync-id>
  <structure-inchikey>TUBWLNXTIJPBLY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000800000004008000000000000000000000000000000100000004000000008000020000002000000002000020000001000000000000000000000000000001000000000000000000000000000000008000000001000002000000000000000020000000000000000000001000020000000201000000000000100000200000000000400000000000000000000040000801000000000000000a00800000000001020000000000000000000800000000000000000c0000008000040800000000000000000000000000000000000000000000001000000000000200000000000000200000000000000040000000401800000000000000002000000000000000</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">2026-09-19T05:20:18Z</structure-indexed-at>
</compound>
