<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">337918</id>
  <title nil="true"/>
  <common-name>6-bromo-3-[[2-(4-methoxyphenyl)-1h-indol-3-yl]methyl]quinazolin-4-one</common-name>
  <description>6-bromo-3-[[2-(4-methoxyphenyl)-1h-indol-3-yl]methyl]quinazolin-4-one is a chemical compound with the formula C24H18BrN3O2. It has an average molecular weight of 460.30 g/mol.</description>
  <cas>88514-20-9</cas>
  <pubchem-id>63937</pubchem-id>
  <chemical-formula>C24H18BrN3O2</chemical-formula>
  <weight>460.3</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">2026-08-30T20:54:03Z</created-at>
  <updated-at type="dateTime">2026-08-30T20:54:03Z</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>COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CN4C=NC5=C(C4=O)C=C(C=C5)Br</moldb-smiles>
  <moldb-formula>C24H18BrN3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C24H18BrN3O2/c1-30-17-9-6-15(7-10-17)23-20(18-4-2-3-5-22(18)27-23)13-28-14-26-21-11-8-16(25)12-19(21)24(28)29/h2-12,14,27H,13H2,1H3</moldb-inchi>
  <moldb-inchikey>BCMHLWVGNRQENA-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">459.05824</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.8</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>CHEM333811</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-3-[[2-(4-methoxyphenyl)-1h-indol-3-yl]methyl]quinazolin-4-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>Indoles and derivatives</klass>
  <subklass>Indoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0288347</sync-id>
  <structure-inchikey>BCMHLWVGNRQENA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8000000001000000001000000000000000000000000000000000040000202000200000000020000000000000000000000000000000800000000000010000000000000000040000200400000001000002008000000002000400000000000100400000001000008004000009000000400000000080010000000000400000008040002000000000048000000001000000000000000000000000100000001000000400010800000000000000000900000000000000000000800000000400000000000001000000000000000000000000200042000400010000000000000000000000c0000000000000000000008000000000000000002000</structure-fingerprint>
  <structure-pattern-fingerprint>7014c2108d32865081081b648128a0201380140083052004003f20c08224c9cc5c222011138000000108490800c00000046002a6c08d32410026e43904a1c010c7110c081690460800901040037202000c0485f153211f3742041562502259061c28052f0048a220614c8481dd940249208680708109c14411192c6802510212124c00094ef8820809061250ca2c0018b93d8a9244801e8b5423082060c000a400d7301090b2c0200a000968017c3d100ac00402a943084818b06a100cc04212a02010a404900a3301808400741102d00d010000224050200d6102842a000300911041100889030411000413d15220a208500030b4c6040e4108100072000202</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ��������������������"���€���`�������(������@(������@h�������@h�������@(������@h�������@h�������@(������@(������@(������@h�������@h�������@h�������@h�������@(������@8��������`������@(������@h�������@(������@(������@(������@(�������(������@h�������@(������@h�������@h������#� ���������� ��h���h���h���h���h��� �	h�	
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	�������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:38:51Z</structure-indexed-at>
</compound>
