기본 정보
- 표준 SMILES
CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(N3CCN(C)CC3)cn2)CC(C)N1- InChIKey
YBKKWAYASIEQIJ-UHFFFAOYSA-N- 분자식
- C26H31FN6O3
- 평균 분자량
- 494.6 g/mol
- 단동위원소 질량
- 494.24416703
이름 및 식별자
- 우선 이름
- 7-(3,5-Dimethyl-1-piperazinyl)-6-fluoro-1-(5-(4-methyl-1-piperazinyl)-2-pyridinyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
- IUPAC
- 7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-oxoquinoline-3-carboxylic acid
이름 및 동의어
NSC674549CHEMBL1974756NSC-6745497-(3,5-Dimethyl-1-piperazinyl)-6-fluoro-1-(5-(4-methyl-1-piperazinyl)-2-pyridinyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acidNCI60_026399{1-[5-(4-Methyl-1-piperazinyl)-2-pyridyl]-6-fluoro-7-(3,5-di} methyl-1-piperazinyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid1-[5-(4-Methyl-1-piperazinyl)-2-pyridyl]-6-fluoro-7-(3,4-dihydro-4-oxoquinoline-3-carboxylic acid7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-1-[5-(4-methylpiperazin-1-yl)-2-pyridyl]-4-oxo-quinoline-3-carboxylic acid
데이터베이스 식별자
- PubChem CID
- 384541
- ChEMBL
CHEMBL1974756
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 92.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 855
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…