기본 정보
- CAS
93107-34-7- 표준 SMILES
CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC(C)N1- InChIKey
YTURORCTXHHHCR-UHFFFAOYSA-N- 분자식
- C19H22FN3O3
- 평균 분자량
- 359.4 g/mol
- 단동위원소 질량
- 359.16451973
이름 및 식별자
- 우선 이름
- 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-
- IUPAC
- 1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
이름 및 동의어
PD15880493107-34-73-Quinolinecarboxylic acid, 1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-CHEMBL15322SCHEMBL10817829DTXSID40918690YTURORCTXHHHCR-UHFFFAOYSA-NAKOS0254014541-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(3,5-dimethyl-1-piperazinyl)quinoline-3-carboxylic acid1-Cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidAC-180071-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid
이름 더 보기
1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(3,5-dimethyl-1-piperazinyl)-3-quinolinecarboxylic acid
데이터베이스 식별자
- CAS
93107-34-7- PubChem CID
- 465552
- DTXSID
DTXSID40918690- ChEMBL
CHEMBL15322- Nikkaji
- J380.579D
물성
구조 계산 물성
- XLogP
- -0.2
- 극성 표면적
- 72.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 626
관련 반응
3건
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