<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">350634</id>
  <title nil="true"/>
  <common-name>4-[3-(2-amino-2-oxoethyl)-4-methoxyphenyl]-n-(5-methoxy-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide</common-name>
  <description>4-[3-(2-amino-2-oxoethyl)-4-methoxyphenyl]-n-(5-methoxy-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide is a chemical compound with the formula C30H32N4O5S. With an average molecular weight of 560.70 g/mol, 4-[3-(2-amino-2-oxoethyl)-4-methoxyphenyl]-n-(5-methoxy-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide is a heavy molecule.</description>
  <cas>476483-24-6</cas>
  <pubchem-id>5108343</pubchem-id>
  <chemical-formula>C30H32N4O5S</chemical-formula>
  <weight>560.7</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">2026-08-31T15:49:21Z</created-at>
  <updated-at type="dateTime">2026-08-31T15:49:21Z</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(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)CC(=O)N)C(=O)NC4=NC5=C(S4)C=CC(=C5)OC</moldb-smiles>
  <moldb-formula>C30H32N4O5S</moldb-formula>
  <moldb-inchi>InChI=1S/C30H32N4O5S/c1-15-25(28(37)34-29-33-19-12-18(38-4)7-9-23(19)40-29)26(27-20(32-15)13-30(2,3)14-21(27)35)16-6-8-22(39-5)17(10-16)11-24(31)36/h6-10,12,26,32H,11,13-14H2,1-5H3,(H2,31,36)(H,33,34,37)</moldb-inchi>
  <moldb-inchikey>PJBNAZVKPHEYPH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">560.2093413</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.8</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>CHEM346527</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-[3-(2-amino-2-oxoethyl)-4-methoxyphenyl]-n-(5-methoxy-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide</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>Quinolines and derivatives</klass>
  <subklass>Phenylquinolines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0300939</sync-id>
  <structure-inchikey>PJBNAZVKPHEYPH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80020000000000080400200000000000000000000040c040000000000024240000000000002041000000000000000000000002000040000000000000002000000000000080000220000030000100000a0000000100000004010001000000004000000110040000000002000800004000080000000010000000004800010000400020000000008000100c000000000000000000000021000004000000008004000000080200000000000000000080000100000000000080000000000200000000000000001004000200000000002000000200000000000010008000000001000040000020000400002000000028000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAoAAAALAAAAIABBgBgAAAAAQMGACgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:48:38Z</structure-indexed-at>
</compound>
