기본 정보
- 표준 SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(CNCCO)C3)c(F)c21- InChIKey
XGJFDWRVYBIBHL-UHFFFAOYSA-N- 분자식
- C19H23F2N3O4
- 평균 분자량
- 395.4 g/mol
이름 및 식별자
- 우선 이름
- 1-Ethyl-6,8-difluoro-7-[3-[(2-hydroxyethylamino)methyl]pyrrolidin-1-yl]-4-oxo-quinoline-3-carboxylic acid
- IUPAC
- 1-ethyl-6,8-difluoro-7-[3-[(2-hydroxyethylamino)methyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
이름 및 동의어
PD116169SCHEMBL10618783XGJFDWRVYBIBHL-UHFFFAOYSA-N1-ethyl-6,8-difluoro-1,4-dihydro-7-[3-[[(2-hydroxyethyl)amino]methyl]-1-pyrrolidinyl]-4-oxo-3-quinoline carboxylic acid1-ethyl-6,8-difluoro-1,4-dihydro-7-[3-[[(2-hydroxyethyl)amino]methyl]-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid1-ethyl-6,8-difluoro-7-[3-[(2-hydroxyethylamino)methyl]pyrrolidin-1-yl]-4-oxo-quinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 1-ethyl-6,8-difluoro-1,4-dihydro-7-[3-[[(2-hydroxyethyl)amino]methyl]-1-pyrrolidinyl]-4-oxo-
데이터베이스 식별자
- PubChem CID
- 461427
- Nikkaji
- J571.700K
물성
구조 계산 물성
- XLogP
- -1.2
- 극성 표면적
- 93.1 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 632
관련 반응
5건
연결된 노트
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