6-Fluoro-1-(2-fluoroethyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid

HCID 488261

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 74029-44-0
標準SMILES: CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CCF)CC1
InChIKey: QKWMLWIDWFIZHY-UHFFFAOYSA-N
分子式: C17H19F2N3O3
平均分子量: 351.35 g/mol
単同位体質量: 351.1394478

名称と識別子

優先名称: 6-Fluoro-1-(2-fluoroethyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid
IUPAC: 6-fluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid

名称と別名

74029-44-06-Fluoro-1-(2-fluoroethyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acidRefChem:3083326-fluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acidAM-735MLS000777486CHEMBL283849SCHEMBL7809357SCHEMBL29388444QKWMLWIDWFIZHY-UHFFFAOYSA-NDTXSID101114964CCG-19375

名称をさらに表示

STK528891AKOS001650800SMR000413880SR-01000479299SR-01000479299-16-fluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid1-(2-fluoroethyl)-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 6-fluoro-1-(2-fluoroethyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-

データベース識別子

CAS: 74029-44-0
PubChem CID: 488261
DTXSID: DTXSID101114964
ChEMBL: CHEMBL283849
Nikkaji: J324.088F

物性

構造計算による物性

XLogP: 0.2
極性表面積: 64.1 Å²
水素結合供与体数: 1
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: 563

実験および物理化学的性質

Solubility>52.7 [ug/mL] (The mean of the results at pH 7.4)

化合物ノート

読み込み中…