基本情報
- 標準SMILES
CN1C(=O)CCc2cc(B3OC(C)(C)C(C)(C)O3)cc(Cl)c21- InChIKey
MKYZPVTYDATXLW-UHFFFAOYSA-N- 分子式
- C16H21BClNO3
- 平均分子量
- 321.6 g/mol
名称と識別子
- 優先名称
- 8-Chloro-1-methyl-6-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-YL)-3,4-dihydro-1H-quinolin-2-one
- IUPAC
- 8-chloro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2-one
名称と別名
1427588-44-08-CHLORO-1-METHYL-6-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-3,4-DIHYDRO-1H-QUINOLIN-2-ONEMFCD22415245(8-Chloro-1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)boronic acid pinacol ester8-CHLORO-1-METHYL-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3,4-DIHYDROQUINOLIN-2-ONE8-Chloro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroquinolin-2(1H)-one8-chloro-1-methyl-6-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-2-oneSCHEMBL14780336MKYZPVTYDATXLW-UHFFFAOYSA-NAKOS025290729PB377698-Chloro-1-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-boronic Acid Pinacol Ester
名称をさらに表示
AS-34147DB-400333CS-0049953F4676648-Chloro-1-methyl-3,4-dihydro-1H-quinolin-2-one-6-boronic acid pinacol ester8-Chloro-3,4-dihydro-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2(1H)-quinolinone
データベース識別子
- PubChem CID
- 72208046
物性
構造計算による物性
- 極性表面積
- 38.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 1
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 454
関連反応
4 件
化合物ノート
読み込み中…