1-Ethyl-6,8-difluoro-7-[3-[(2-hydroxyethylamino)methyl]pyrrolidin-1-yl]-4-oxo-quinoline-3-carboxylic acid

HCID 461427

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

관련 반응

5건

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