<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">312575</id>
  <title nil="true"/>
  <common-name>4-(2-phenylethyl)-2-propylpyrido[3,2-b][1,4]oxazin-3-one</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>13198098</pubchem-id>
  <chemical-formula>C18H20N2O2</chemical-formula>
  <weight>296.4</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">2026-08-29T09:07:03Z</created-at>
  <updated-at type="dateTime">2026-08-29T09:07:03Z</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>CCCC1C(=O)N(C2=C(O1)C=CC=N2)CCC3=CC=CC=C3</moldb-smiles>
  <moldb-formula>C18H20N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C18H20N2O2/c1-2-7-16-18(21)20(13-11-14-8-4-3-5-9-14)17-15(22-16)10-6-12-19-17/h3-6,8-10,12,16H,2,7,11,13H2,1H3</moldb-inchi>
  <moldb-inchikey>LWCDXABCPKBDEY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">296.1524779</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.6</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>CHEM308468</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-(2-phenylethyl)-2-propylpyrido[3,2-b][1,4]oxazin-3-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>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Ethers</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0263505</sync-id>
  <structure-inchikey>LWCDXABCPKBDEY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000000000800000020000200000000000010000000000000000000000000002200020000000000000002004000000002000008000000000000000000000000001001000080000000000000020800000000800000000000002000000000020000000008000000000000000000000000100000000000000000300100000140040200000800000000000024000000000000100000000001000000080000000000000000000000000080000000000000000080000004000000000000000000000000000000000000000000000000000000000000000000220000000000200000000000000002040000000400000000000000000000000000000000000</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���h�	���h���h�B������	�����
���������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:19:31Z</structure-indexed-at>
</compound>
