<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">342006</id>
  <title nil="true"/>
  <common-name>2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one</common-name>
  <description>2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[3,2-b][1,4]oxazin-3-one is a chemical compound with the formula C25H25N3O2. It has an average molecular weight of 399.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>13203547</pubchem-id>
  <chemical-formula>C25H25N3O2</chemical-formula>
  <weight>399.5</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">2026-08-31T02:46:04Z</created-at>
  <updated-at type="dateTime">2026-08-31T02:46:04Z</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>C1CCN(C1)CC(C2=CC=CC=C2)N3C(=O)C(OC4=C3N=CC=C4)C5=CC=CC=C5</moldb-smiles>
  <moldb-formula>C25H25N3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C25H25N3O2/c29-25-23(20-12-5-2-6-13-20)30-22-14-9-15-26-24(22)28(25)21(18-27-16-7-8-17-27)19-10-3-1-4-11-19/h1-6,9-15,21,23H,7-8,16-18H2</moldb-inchi>
  <moldb-inchikey>NCBBBOYVFSACJI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">399.1946771</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.1</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>CHEM337899</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>2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)pyrido[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>CED0292401</sync-id>
  <structure-inchikey>NCBBBOYVFSACJI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4400000000000000000080000000000020000000000000000000000000000000000000000000002000000000000000200400000000200000800800000000000000000000000000200000000000000000002080000000000000000000000600000000000000000000000000000000000000000002410000000000000000010010080010000000000080400000000000010000000000010000000000000000000100000000000000000000040008000000000200000008000000c040000000000000000000000400000000000000000001200000000004000000000200000000010000000000400000002040000000400060000000040000800002000000000000</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�	
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���������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:41:47Z</structure-indexed-at>
</compound>
