기본 정보
- 표준 SMILES
CCNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(F)(F)F)C1- InChIKey
YNUWDZOIKHYORM-UHFFFAOYSA-N- 분자식
- C21H23F4N3O3
- 평균 분자량
- 441.4 g/mol
이름 및 식별자
- 우선 이름
- 1-Cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid
- IUPAC
- 1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid
이름 및 동의어
CHEMBL275412SCHEMBL104011321-Cyclopropyl-6-fluoro-1,4-dihydro-7-(3-ethylaminomethyl-1-pyrrolidinyl)-8-trifluoromethyl-4-oxoquinoline-3-carboxylic acid1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid1-cyclopropyl-7-(3-((N-ethylamino) methyl)pyrrolidinyl)-6-fluoro-1,4-dihydro-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid1-cyclopropyl-7-(3-((N-ethylamino)methyl)pyrrolidinyl)-6-fluoro-1,4-dihydro-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid
데이터베이스 식별자
- PubChem CID
- 3025804
- ChEMBL
CHEMBL275412- Nikkaji
- J457.711F
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 72.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 755
관련 반응
3건
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