<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">296541</id>
  <title nil="true"/>
  <common-name>6-bromo-12-methyl-2-oxa-12,15-diazatetracyclo[7.5.3.01,10.03,8]heptadeca-3(8),4,6-trien-16-one</common-name>
  <description>6-bromo-12-methyl-2-oxa-12,15-diazatetracyclo[7.5.3.01,10.03,8]heptadeca-3(8),4,6-trien-16-one belongs to the naphthyridines, a subclass of diazanaphthalenes within the organic compounds. This organoheterocyclic compound has the formula C15H17BrN2O2 and an average molecular weight of 337.21 g/mol.</description>
  <cas>70384-96-2</cas>
  <pubchem-id>3053758</pubchem-id>
  <chemical-formula>C15H17BrN2O2</chemical-formula>
  <weight>337.21</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">2026-08-28T12:41:29Z</created-at>
  <updated-at type="dateTime">2026-08-28T12:41:29Z</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>CN1CCC23C(C1)C(CC(=O)N2)C4=C(O3)C=CC(=C4)Br</moldb-smiles>
  <moldb-formula>C15H17BrN2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C15H17BrN2O2/c1-18-5-4-15-12(8-18)10(7-14(19)17-15)11-6-9(16)2-3-13(11)20-15/h2-3,6,10,12H,4-5,7-8H2,1H3,(H,17,19)</moldb-inchi>
  <moldb-inchikey>LWJREGVCRQEVHH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">336.04734</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.8</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>CHEM292434</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>6-bromo-12-methyl-2-oxa-12,15-diazatetracyclo[7.5.3.01,10.03,8]heptadeca-3(8),4,6-trien-16-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>Organoheterocyclic compounds</superklass>
  <klass>Diazanaphthalenes</klass>
  <subklass>Naphthyridines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0247938</sync-id>
  <structure-inchikey>LWJREGVCRQEVHH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4400000000000000000000000010000000000000000010000010000000080000000000020000000000000000000000000000000000100000000000000010000002000000000000000800000000020800000000000000000805000000201000000000000000000000000100800000400020100008008000000000000101010000048000000000000200000004004200000000000000000000000020000200000000000000000000000080000000000000000000000008000000000000000000000010020000000000100048000000000000000000000000200000000000000000000000000000040000000400000000000000000400000000000000000</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�B�������������	��������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:07:45Z</structure-indexed-at>
</compound>
