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

HCID 488261

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 74029-44-0
표준 SMILES: CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CCF)CC1
InChIKey: QKWMLWIDWFIZHY-UHFFFAOYSA-N
분자식: C17H19F2N3O3
평균 분자량: 351.35 g/mol
단동위원소 질량: 351.1394478

이름 및 식별자

우선 이름: 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

이름 및 동의어

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

이름 더 보기

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-

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 64.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 8
회전 가능 결합 수: 4
무거운 원자 수: 25
형식 전하: 0
복잡도: 563

실험 및 물리화학적 성질

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

화합물 노트

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