1-Cyclopropyl-6,8-difluoro-7-[3-(4-methyl-1,2,3-triazol-1-yl)pyrrolidin-1-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

HCID 19005937

기본 정보

표준 SMILES
Cc1cn(C2CCN(c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3F)C2)nn1
InChIKey
DTSCQRGCYWRFSR-UHFFFAOYSA-N
분자식
C20H19F2N5O3
평균 분자량
415.4 g/mol
단동위원소 질량
415.14559581

이름 및 식별자

우선 이름
1-Cyclopropyl-6,8-difluoro-7-[3-(4-methyl-1,2,3-triazol-1-yl)pyrrolidin-1-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
IUPAC
1-cyclopropyl-6,8-difluoro-7-[3-(4-methyltriazol-1-yl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid

이름 및 동의어

SCHEMBL8129298DTSCQRGCYWRFSR-UHFFFAOYSA-N1-cyclopropyl-6,8-difluoro-7-[3-(4-methyl-1,2,3-triazol-1-yl) pyrrolidine-1-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid1-Cyclopropyl-6,8-difluoro-7-[3-(4-methyl-1,2,3-triazol-1-yl)pyrrolidin-1-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid1-cyclopropyl-6,8-difluoro-7-[3-(4-Methyl-1,2,3-triazol-1-yl)pyrrolidine-1-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

데이터베이스 식별자

PubChem CID
19005937

물성

구조 계산 물성

XLogP
2.8
극성 표면적
91.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
4
무거운 원자 수
30

관련 반응

4건

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