349477 <common-name>2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophen-2-yl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4h-quinoline-3-carbonitrile</common-name> <description>2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophen-2-yl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4h-quinoline-3-carbonitrile is a chemical compound with the formula C29H30N4O2S. It has an average molecular weight of 498.60 g/mol.</description> <cas>309277-28-9</cas> <pubchem-id>3873298</pubchem-id> <chemical-formula>C29H30N4O2S</chemical-formula> <weight>498.6</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">2026-08-31T14:05:21Z</created-at> <updated-at type="dateTime">2026-08-31T14:05:21Z</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(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCCC4)C#N)N)C#N)C5=CC=C(C=C5)OC)C(=O)C1)C</moldb-smiles> <moldb-formula>C29H30N4O2S</moldb-formula> <moldb-inchi>InChI=1S/C29H30N4O2S/c1-29(2)13-22-26(23(34)14-29)25(17-9-11-18(35-3)12-10-17)21(16-31)27(32)33(22)28-20(15-30)19-7-5-4-6-8-24(19)36-28/h9-12,25H,4-8,13-14,32H2,1-3H3</moldb-inchi> <moldb-inchikey>MXYZTASLLXBGPT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">498.2089474</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6</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>CHEM345370</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>2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophen-2-yl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4h-quinoline-3-carbonitrile</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>CED0299801</sync-id> <structure-inchikey>MXYZTASLLXBGPT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000002080000000000000000000000004002000000000004408080100000000000000000220200000040240000001000000000000000200040000000000000000000000000000000100000000000020000030400100000200000001000000040200000001010040000000000000000000020108000000000000000000100800000048000080000000000000800000001000000000000000008000000021000004000000000000000000088100000000040000004000000100001000000080000000000200000000000000000000400002000000000000200200000000000010004000000000000040000200000000000000000000000000000000002000</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�B������" ����������� ���������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:47:34Z</structure-indexed-at> </compound>