<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">338537</id>
  <title nil="true"/>
  <common-name>N-(4-chlorophenyl)imino-4-(dimethylamino)-n'-(2-methyl-4-oxoquinazolin-3-yl)benzenecarboximidamide</common-name>
  <description>N-(4-chlorophenyl)imino-4-(dimethylamino)-n'-(2-methyl-4-oxoquinazolin-3-yl)benzenecarboximidamide is a chemical compound with the formula C24H21ClN6O. It has an average molecular weight of 444.90 g/mol.</description>
  <cas>110605-09-9</cas>
  <pubchem-id>9569850</pubchem-id>
  <chemical-formula>C24H21ClN6O</chemical-formula>
  <weight>444.9</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">2026-08-30T21:39:24Z</created-at>
  <updated-at type="dateTime">2026-08-30T21:39:24Z</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=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=C(C=C3)N(C)C)N=NC4=CC=C(C=C4)Cl</moldb-smiles>
  <moldb-formula>C24H21ClN6O</moldb-formula>
  <moldb-inchi>InChI=1S/C24H21ClN6O/c1-16-26-22-7-5-4-6-21(22)24(32)31(16)29-23(17-8-14-20(15-9-17)30(2)3)28-27-19-12-10-18(25)11-13-19/h4-15H,1-3H3/b28-27?,29-23-</moldb-inchi>
  <moldb-inchikey>CYZUKIJJEHHLMN-XEPJHKIBSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">444.146537</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.5</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>CHEM334430</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>N-(4-chlorophenyl)imino-4-(dimethylamino)-n'-(2-methyl-4-oxoquinazolin-3-yl)benzenecarboximidamide</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>Benzodiazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0288964</sync-id>
  <structure-inchikey>CYZUKIJJEHHLMN-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>10000000000000000000000020008000000000000000004400002000000000000000200400000000000000000000000400008000400000000040000000000000000000002000000000000000000400400000000000000011008000000000000000400000000400110000008000000000000000020000004002000080c000000800000000100000000100000000000000020000000000000000000000040000184000000000000000000000000000000000001020000000040100000000000000000008000010004800002020000200000000000000000000000003000040000000000000000000000000000000000000000000</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���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">2026-09-19T05:39:17Z</structure-indexed-at>
</compound>
