306609 <common-name>8-chloro-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine</common-name> <description>8-chloro-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C17H17ClN4O and an average molecular weight of 328.80 g/mol. This compound is further classified under the superclass of organic oxygen compounds and the class of organooxygen compounds.</description> <cas nil="true"/> <pubchem-id>188249</pubchem-id> <chemical-formula>C17H17ClN4O</chemical-formula> <weight>328.8</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">2026-08-29T00:25:12Z</created-at> <updated-at type="dateTime">2026-08-29T00:25:12Z</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>CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)OC4=C2C=CC=N4</moldb-smiles> <moldb-formula>C17H17ClN4O</moldb-formula> <moldb-inchi>InChI=1S/C17H17ClN4O/c1-21-7-9-22(10-8-21)16-13-3-2-6-19-17(13)23-15-5-4-12(18)11-14(15)20-16/h2-6,11H,7-10H2,1H3</moldb-inchi> <moldb-inchikey>XUSZOVSAUPFWTP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">328.1090889</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.3</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>CHEM302502</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-chloro-5-(4-methylpiperazin-1-yl)pyrido[2,3-b][1,5]benzoxazepine</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>CED0257666</sync-id> <structure-inchikey>XUSZOVSAUPFWTP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000400000000001000000000000000004000000000100800000000000008000000000000000000080000020000001000000008080000000000000000000000000004000000800000000004000008000000000000000000000000000000000000000800000000000001010000000000301000000000000800000000000101000400000008000000000000040000000000000000000000800000000000040000000000000000000000800000000000000000c0000088000000800000000000000000000000000000000000000000010000000000000000200000000000000200000000000002040000000c00000020000000000000000000000000000</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�B����������������� ��� � �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:15:03Z</structure-indexed-at> </compound>