<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">303011</id>
  <title nil="true"/>
  <common-name>5-[3-(tert-butylamino)-2-hydroxypropoxy]-1h-quinolin-2-one</common-name>
  <description>5-[3-(tert-butylamino)-2-hydroxypropoxy]-1h-quinolin-2-one belongs to the quinolones and derivatives, a subclass of quinolines and derivatives within the organic compounds. It is an organoheterocyclic compound with the formula C16H22N2O3 and an average molecular weight of 290.36 g/mol.</description>
  <cas>62330-84-1</cas>
  <pubchem-id>3041046</pubchem-id>
  <chemical-formula>C16H22N2O3</chemical-formula>
  <weight>290.36</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">2026-08-28T20:08:24Z</created-at>
  <updated-at type="dateTime">2026-08-28T20:08:24Z</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>CC(C)(C)NCC(COC1=CC=CC2=C1C=CC(=O)N2)O</moldb-smiles>
  <moldb-formula>C16H22N2O3</moldb-formula>
  <moldb-inchi>InChI=1S/C16H22N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-8,11,17,19H,9-10H2,1-3H3,(H,18,20)</moldb-inchi>
  <moldb-inchikey>ZTCHDVYUVIVZFA-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">290.1630426</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.2</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>CHEM298904</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>5-[3-(tert-butylamino)-2-hydroxypropoxy]-1h-quinolin-2-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>Quinolines and derivatives</klass>
  <subklass>Quinolones and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0254217</sync-id>
  <structure-inchikey>ZTCHDVYUVIVZFA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000c04000002300000000000000000000000000100000000000000010000020000000000000000000800000000200000000000000000000000000000000000000000012000000000020200000000100000000000000000000000000010000000010000000000000000000000000000000000000000000000001000040000000800000200040000080000000000000000000000000000000000010000000000000440000080000002000000080080000000000000000000000000000002000000010000000000000000000000000000004004200000001000000000000000000000040000000200000000000000021000000000000000200</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`�������`�������`�������`�������(������@(������@h�������@h�������@h�������@(������@(������@h�������@h�������@(�������(������@8��������`�������������������������������	 	
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  <structure-indexed-at type="dateTime">2026-09-19T05:12:21Z</structure-indexed-at>
</compound>
