1-Cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

HCID 15023787

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 128426-95-9
표준 SMILES: O=C(O)c1cn(C2CC2)c2c(OC(F)F)c(F)c(F)cc2c1=O
InChIKey: BABQSAYDWYPDMI-UHFFFAOYSA-N
분자식: C14H9F4NO4
평균 분자량: 331.22 g/mol
단동위원소 질량: 331.04677065

이름 및 식별자

우선 이름: 1-Cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
IUPAC: 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylic acid
영어명: 1-CYCLOPROPYL-6,7-DIFLUORO-8-DIFLUOROMETHOXY-4-OXO-3-QUINOLINE CARBOXYLIC ACID
분자식: C14H9F4NO4
분자량: 331.22

이름 및 동의어

128426-95-91-cyclopropyl-6,7-difluoro-8-difluoromethoxy-4-oxo-3-quinoline carboxylic acid1-Cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid1-Cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-1,4-dihydro-4-oxo-SCHEMBL3720416DTXSID90567096AKOS015961522AC-140241-cyclopropyl-8-difluoromethoxy-6,7-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid1-Cyclopropyl-8-(Difluoromethoxy)-6,7-Difluoro-4-Oxo-1,4-Dihydro-3-Quinolinecarboxylic Acid

이름 더 보기

CADR-0091-CYCLOPROPYL-6,7-DIFLUORO-6-DIFLUOROMETHOXY-4-OXO-3-QUINOLINE CARBOXYLIC ACID1-Cyclopropyl-1,4-dihydro-6,7-difluoro-8-difluoromethoxy-4-oxoquinoline-3-carboxylic acid

데이터베이스 식별자

CAS: 128426-95-9
PubChem CID: 15023787
DTXSID: DTXSID90567096

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 9
회전 가능 결합 수: 4
무거운 원자 수: 23
형식 전하: 0
복잡도: 551

물리화학적 성질

끓는 점: 467.9 · 467.9±45.0 °C(Predicted)
밀도: 1.673 · 1.673±0.06 g/cm3(Predicted)
산도 계수 (pKa): 6.34 · 6.34±0.50(Predicted)

화학 및 산업

응용 분야

용도1-Cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid is a fluoroquinolone derivative that shows antibacterial activity in vitro.