107469 <common-name>3-(2-Hydroxycyclohexyl)-6-[(6-methylpyridin-3-yl)methyl]-3h,4h-benzo[h]quinazolin-4-one</common-name> <description>3-(2-Hydroxycyclohexyl)-6-[(6-methylpyridin-3-yl)methyl]-3h,4h-benzo[h]quinazolin-4-one belongs to the benzodiazines, a subclass of diazanaphthalenes within the organic compounds. This organoheterocyclic compound has the formula C25H25N3O2 and an average molecular weight of 399.49 g/mol.</description> <cas>1227923-29-6</cas> <pubchem-id>46207733</pubchem-id> <chemical-formula>C25H25N3O2</chemical-formula> <weight>399.5</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">2026-04-05T13:53:43Z</created-at> <updated-at type="dateTime">2026-08-22T05:00:24Z</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>DB12897</drugbank-id> <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=CC=C(CC2=CC3=C(N=CN([C@H]4CCCC[C@@H]4O)C3=O)C3=CC=CC=C23)C=N1</moldb-smiles> <moldb-formula>C25H25N3O2</moldb-formula> <moldb-inchi>InChI=1S/C25H25N3O2/c1-16-10-11-17(14-26-16)12-18-13-21-24(20-7-3-2-6-19(18)20)27-15-28(25(21)30)22-8-4-5-9-23(22)29/h2-3,6-7,10-11,13-15,22-23,29H,4-5,8-9,12H2,1H3/t22-,23-/m0/s1</moldb-inchi> <moldb-inchikey>JUVQLZBJFOGEEO-GOTSBHOMSA-N</moldb-inchikey> <moldb-average-mass type="decimal">399.494</moldb-average-mass> <moldb-mono-mass type="decimal">399.194677</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.67</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>CHEM103362</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00073100</susdat-id> <iupac>3-[(1S,2S)-2-hydroxycyclohexyl]-6-[(6-methylpyridin-3-yl)methyl]-3H,4H-benzo[h]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>Diazanaphthalenes</klass> <subklass>Benzodiazines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0168618</sync-id> <structure-inchikey>JUVQLZBJFOGEEO-GOTSBHOMSA-N</structure-inchikey> <structure-fingerprint>800000200000400000000000000020000000000080000008000200000220000100000000022000000000000000000000000000000080000000000000000040000000000000000020000000004000000000000000000000000000010800000000400000100420000000020900000000000000000000100800500040200000810000000000000000000000000100000000000000400000000400000004000004040000080000000000020000080000000000000000000100000000040000000400000000000000800000400000002810000220000000000000000000000000000040000000000000000000000000000001000000000000</structure-fingerprint> 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