基本情報
- 標準SMILES
CCOC(=O)c1cc(C2CC2)c2c(C)c(Cl)c(F)cn2c1=O- InChIKey
CZWOEPIYDWRSSK-UHFFFAOYSA-N- 分子式
- C16H15ClFNO3
- 平均分子量
- 323.74 g/mol
名称と識別子
- 優先名称
- Ethyl 8-chloro-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4H-quinolizine-3-carboxylate
- IUPAC
- ethyl 8-chloro-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate
名称と別名
169749-89-7Ethyl 8-chloro-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4H-quinolizine-3-carboxylate8-chloro-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4H-quinolizine-3-carboxylic acid ethyl esterethyl 8-chloro-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylateSCHEMBL1290285CZWOEPIYDWRSSK-UHFFFAOYSA-NEOS-61939ethyl8-chloro-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4H-quinolizine-3-carboxylateAC-31187DB-334309F8193554H-Quinolizine-3-carboxylic acid, 8-chloro-1-cyclopropyl-7-fluoro-9-Methyl-4-oxo-,
名称をさらに表示
8-chloro-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4H-quinolizine3-carboxylic acid ethyl ester4H-Quinolizine-3-carboxylic acid,8-chloro-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-, ethyl ester8-chloro-1- cyclopropyl-7-fluoro-9-methyl-4-oxo-4H-quinolizine-3-carboxylic acid ethyl ester
データベース識別子
- PubChem CID
- 9927245
- Nikkaji
- J1.119.462A
物性
構造計算による物性
- XLogP
- 2.3
- 極性表面積
- 46.6 Ų
- 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
- 22
- 形式電荷
- 0
- 複雑度
- 698
関連反応
45 件
化合物ノート
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