<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">330567</id>
  <title nil="true"/>
  <common-name>4-(3-bromophenyl)-2-methyl-5-oxo-n-pyridin-2-yl-4,6,7,8-tetrahydro-1h-quinoline-3-carboxamide</common-name>
  <description>4-(3-bromophenyl)-2-methyl-5-oxo-n-pyridin-2-yl-4,6,7,8-tetrahydro-1h-quinoline-3-carboxamide is a chemical compound with the formula C22H20BrN3O2. It has an average molecular weight of 438.30 g/mol.</description>
  <cas>361194-18-5</cas>
  <pubchem-id>5189678</pubchem-id>
  <chemical-formula>C22H20BrN3O2</chemical-formula>
  <weight>438.3</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">2026-08-30T11:11:44Z</created-at>
  <updated-at type="dateTime">2026-08-30T11:11:44Z</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)CCCC2=O)C3=CC(=CC=C3)Br)C(=O)NC4=CC=CC=N4</moldb-smiles>
  <moldb-formula>C22H20BrN3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C22H20BrN3O2/c1-13-19(22(28)26-18-10-2-3-11-24-18)20(14-6-4-7-15(23)12-14)21-16(25-13)8-5-9-17(21)27/h2-4,6-7,10-12,20,25H,5,8-9H2,1H3,(H,24,26,28)</moldb-inchi>
  <moldb-inchikey>GUSVZRVKYMQDAF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">437.07389</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.4</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>CHEM326460</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-bromophenyl)-2-methyl-5-oxo-n-pyridin-2-yl-4,6,7,8-tetrahydro-1h-quinoline-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>CED0281115</sync-id>
  <structure-inchikey>GUSVZRVKYMQDAF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>c040000000000030000000000000002000000000000000008000000006000000000000000000000000000000000000000020000020000000000000800001000200000000010000000000000001100008000400020000000040000000400000100801000048020100803000200000000090001000000100000000000000000001000000008000000000000000081000000000000000080080000000000000000040000000000200000000000100001001002000000000002000200210000000000000008000000000002040000000000400000000000000000000000000000000</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�������@(�����������(���������(��� �������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:33:04Z</structure-indexed-at>
</compound>
