3-Quinolinecarboxylic acid, 7-(3-((ethylamino)methyl)-1-pyrrolidinyl)-6,8-difluoro-1,4-dihydro-1-(1-methylcyclopropyl)-4-oxo-

HCID 465572

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

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5건

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