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기본 정보
- CAS
99735-00-9- 표준 SMILES
CNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1- InChIKey
XKGVOPJHIWQLRX-UHFFFAOYSA-N- 분자식
- C19H21F2N3O3
- 평균 분자량
- 377.4 g/mol
- 단동위원소 질량
- 377.15509797
이름 및 식별자
- 우선 이름
- 3-Quinolinecarboxylic acid, 1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-(3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo-
- IUPAC
- 1-cyclopropyl-6,8-difluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
이름 및 동의어
99735-00-91-Cyclopropyl-6,8-difluoro-7-(3-((methylamino)methyl)pyrrolidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-(3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo-1-Cyclopropyl-6,8-difluoro-7-{3-[(methylamino)methyl]pyrrolidin-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-[3-[(methylamino)methyl]-1-pyrrolidinyl]-4-oxo-CHEMBL174933SCHEMBL8922104DTXSID40912517XKGVOPJHIWQLRX-UHFFFAOYSA-N1-Cvclopropyl-7-[3-[(methylamino)methyl]-1-pyrrolidinyl]6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxlic acid1-cyclopropyl-6,8-difluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-quinoline-3-carboxylic acid1-Cyclopropyl-7-[3-[(methylamino)methly]-1-pyrrolidinyl]-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxlic acid
이름 더 보기
1-Cyclopropyl-7-[3-[(methylamino)methyl]-1-pyrrolidinyl]-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxlic acid
물성
구조 계산 물성보충 중
- XLogP
- -0.3
- 극성 표면적
- 72.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 654
관련 반응
4건
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