Ethyl 1-cyclopropyl-6,7-difluoro-8-methyl-5-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate
基本情報
- CAS
167888-36-0- 標準SMILES
CCOC(=O)c1cn(C2CC2)c2c(C)c(F)c(F)c([N+](=O)[O-])c2c1=O- InChIKey
LRAWRQGOTUZZGS-UHFFFAOYSA-N- 分子式
- C16H14F2N2O5
- 平均分子量
- 352.29 g/mol
- 単同位体質量
- 352.08707799
名称と識別子
- 優先名称
- Ethyl 1-cyclopropyl-6,7-difluoro-8-methyl-5-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate
- IUPAC
- ethyl 1-cyclopropyl-6,7-difluoro-8-methyl-5-nitro-4-oxoquinoline-3-carboxylate
- 英語名
- ethyl 1-cyclopropyl-6,7-difluoro-8-methyl-5-nitro4-oxo-1,4-dihydroquinoline-3-ca
- 分子式
- C16H14F2N2O5
- 分子量
- 352.29
名称と別名
167888-36-0ETHYL 1-CYCLOPROPYL-6,7-DIFLUORO-8-METHYL-5-NITRO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLATEethyl 1-cyclopropyl-6,7-difluoro-8-methyl-5-nitro-4-oxoquinoline-3-carboxylateLRAWRQGOTUZZGS-UHFFFAOYSA-NSCHEMBL7520230DTXSID70444194Ethyl 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methyl-5-nitro-4-oxoquinoline-3-carboxylateethyl 1-cyclopropyl-6,7-difluoro-8-methyl-5-nitro4-oxo-1,4-dihydroquinoline-3-ca1-cyclopropyl-6,7-difluoro-8-methyl-5-nitro-4-oxo-3-quinolinecarboxylic acid ethyl esterEthyl1-cyclopropyl-6,7-difluoro-8-methyl-5-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate3-Quinolinecarboxylic acid, 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methyl-5-nitro-4-oxo-, ethyl ester
データベース識別子
- CAS
167888-36-0- PubChem CID
- 10736705
- DTXSID
DTXSID70444194- Nikkaji
- J1.976.896A
物性
構造計算による物性
- XLogP
- 3.1
- 極性表面積
- 92.4 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 8
- 回転可能結合数
- 4
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 631
関連反応
6 件
化合物ノート
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