<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">307034</id>
  <title nil="true"/>
  <common-name>2,2-dimethyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one</common-name>
  <description>2,2-dimethyl-4-(2-phenylethyl)pyrido[3,2-b][1,4]oxazin-3-one belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the formula C17H18N2O2 and an average molecular weight of 282.34 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>13198092</pubchem-id>
  <chemical-formula>C17H18N2O2</chemical-formula>
  <weight>282.34</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">2026-08-29T00:58:14Z</created-at>
  <updated-at type="dateTime">2026-08-29T00:58:14Z</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>CC1(C(=O)N(C2=C(O1)C=CC=N2)CCC3=CC=CC=C3)C</moldb-smiles>
  <moldb-formula>C17H18N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C17H18N2O2/c1-17(2)16(20)19(12-10-13-7-4-3-5-8-13)15-14(21-17)9-6-11-18-15/h3-9,11H,10,12H2,1-2H3</moldb-inchi>
  <moldb-inchikey>MRHQGXKFBMHMLQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">282.1368278</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.9</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>CHEM302927</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>2,2-dimethyl-4-(2-phenylethyl)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>CED0258086</sync-id>
  <structure-inchikey>MRHQGXKFBMHMLQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80000000000020000000000000000000000000400001000000000000002008000000000000200400000000200000c000000000000000000000000001000080080000000000000020800000000000000000000000400000000000000000000000000000000000000000000100000000000000020200000000140048200000800000000000004000000000000100000000001000000020200000000000000000000000080000000000000000080000004000000000000000000000000000000000000000000000000000000000000000000220000000000200000000000000002040000000400000000000000000000000000000000000</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">2026-09-19T05:15:21Z</structure-indexed-at>
</compound>
