(4-Cyclopropyl-3,4-dihydro-2H-quinoxalin-1-yl)(4-(2,5-dichloro-phenoxy)-pyridin-3-yl)-methanone

HCID 53311869

ノート反応

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C(c1cnccc1Oc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21
InChIKey: GVSOSQXVSIDDOZ-UHFFFAOYSA-N
分子式: C23H19Cl2N3O2
平均分子量: 440.3 g/mol

名称と識別子

優先名称: (4-Cyclopropyl-3,4-dihydro-2H-quinoxalin-1-yl)(4-(2,5-dichloro-phenoxy)-pyridin-3-yl)-methanone
IUPAC: (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone

名称と別名

(4-Cyclopropyl-3,4-dihydro-2H-quinoxalin-1-yl)(4-(2,5-dichloro-phenoxy)-pyridin-3-yl)-methanone(4-Cyclopropyl-3,4-dihydro-2H-quinoxalin-1-yl)[4-(2,5-dichloro-phenoxy)-pyridin-3-yl]-methanoneRefChem:906104CHEMBL2181239SCHEMBL2216480GVSOSQXVSIDDOZ-UHFFFAOYSA-NBDBM50399962(4-Cyclopropyl-3,4-dihydro-2H-quinoxalin-1-yl)-[4-(2,5-dichloro-phenoxy)-pyridin-3-yl]-methanone

データベース識別子

PubChem CID: 53311869
ChEMBL: CHEMBL2181239

物性

構造計算による物性

XLogP: 5.1
極性表面積: 45.7 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 30
形式電荷: 0
複雑度: 619

化学と産業

薬理情報

MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.