5,11-Dihydro-11-ethyl-2-fluoro-5-methyl-8{2-(4-quinolinyloxy)ethyl}-6h-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
基本情報
- 標準SMILES
CCN1c2ncc(CCOc3ccnc4ccccc34)cc2C(=O)N(C)c2ccc(F)nc21- InChIKey
KYKLMTVFODLPDF-UHFFFAOYSA-N- 分子式
- C25H22FN5O2
- 平均分子量
- 443.5 g/mol
名称と識別子
- 優先名称
- 5,11-Dihydro-11-ethyl-2-fluoro-5-methyl-8{2-(4-quinolinyloxy)ethyl}-6h-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
- IUPAC
- 2-ethyl-5-fluoro-9-methyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
名称と別名
SCHEMBL5744780KYKLMTVFODLPDF-UHFFFAOYSA-N11-ethyl-2-fluoro-5-methyl-8-[2-(4-quinolyloxy)ethyl]dipyrido[[?],[?]][1,4]diazepin-6-one5,11-Dihydro-11-ethyl-2-fluoro-5-methyl-8-{2-(4-quinolinyloxy)ethyl}-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one5,11-dihydro-11-ethyl-2-fluoro-5-methyl-8{2-(4-quinolinyloxy)ethyl}-6h-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one5,11-dihydro-2-fluoro-11-ethyl-5-methyl-8-{2-(4-quinolinyloxy)ethyl}-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one6H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, 11-ethyl-2-fluoro-5,11-dihydro-5-methyl-8-[2-(4-quinolinyloxy)ethyl]-
データベース識別子
- PubChem CID
- 3010648
物性
構造計算による物性
- XLogP
- 4.2
- 極性表面積
- 71.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 7
- 回転可能結合数
- 5
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 683
関連反応
3 件
化合物ノート
読み込み中…