7-(1,2,3,4,4a,5,7,7a-Octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid
기본 정보
- 표준 SMILES
O=C(O)c1cn(C2CC2)c2c(F)c(N3CC4CCCNC4C3)c(F)cc2c1=O- InChIKey
WEXQOLCYKFJAJZ-UHFFFAOYSA-N- 분자식
- C20H21F2N3O3
- 평균 분자량
- 389.4 g/mol
이름 및 식별자
- 우선 이름
- 7-(1,2,3,4,4a,5,7,7a-Octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid
- IUPAC
- 7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
이름 및 동의어
1-Cyclopropyl-6,8-difluoro-7-((4aS,7aS)-hexahydro-1H-pyrrolo-[3,4-b]pyridin-6(2H)-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid7-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acidC20H21F2N3O3SCHEMBL6215890WEXQOLCYKFJAJZ-UHFFFAOYSA-NSB73067NS00007780Moxifloxacin Impurity AMoxifloxacin hydrochloride EP impurity A1-Cyclopropyl-7-(2,7-diazabicyclo[3.3.0]oct-7-yl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid1-cyclopropyl-7-(2,8-diazabicyclo[4.3.0]non-8-yl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
데이터베이스 식별자
- PubChem CID
- 483163
물성
구조 계산 물성
- XLogP
- -0.1
- 극성 표면적
- 72.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 713
관련 반응
2건
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