기본 정보
- CAS
99735-15-6- 표준 SMILES
CCNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4(C)CC4)c3c2F)C1- InChIKey
IPQMSQPETCRJAK-UHFFFAOYSA-N- 분자식
- C21H25F2N3O3
- 평균 분자량
- 405.4 g/mol
- 단동위원소 질량
- 405.1863981
이름 및 식별자
- 우선 이름
- 3-Quinolinecarboxylic acid, 7-(3-((ethylamino)methyl)-1-pyrrolidinyl)-6,8-difluoro-1,4-dihydro-1-(1-methylcyclopropyl)-4-oxo-
- IUPAC
- 7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-1-(1-methylcyclopropyl)-4-oxoquinoline-3-carboxylic acid
이름 및 동의어
PD12031699735-15-63-Quinolinecarboxylic acid, 7-(3-((ethylamino)methyl)-1-pyrrolidinyl)-6,8-difluoro-1,4-dihydro-1-(1-methylcyclopropyl)-4-oxo-3-Quinolinecarboxylic acid, 7-[3-[(ethylamino)methyl]-1-pyrrolidinyl]-6,8-difluoro-1,4-dihydro-1-(1-methylcyclopropyl)-4-oxo-CHEMBL6276SCHEMBL10680318DTXSID80912516IPQMSQPETCRJAK-UHFFFAOYSA-N7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-1-(1-methylcyclopropyl)-4-oxo-quinoline-3-carboxylic acid7-[3-[(ethylamino)methyl]-1-pyrrolidinyl]-6,8-difluoro 1,4-dihydro-1-(1-methylcyclopropyl)-4-oxo-3-quinolinecarboxylic acid7-{3-[(Ethylamino)methyl]pyrrolidin-1-yl}-6,8-difluoro-1-(1-methylcyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
데이터베이스 식별자
- CAS
99735-15-6- PubChem CID
- 465572
- DTXSID
DTXSID80912516- ChEMBL
CHEMBL6276
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 72.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 711
관련 반응
5건
화합물 노트
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