기본 정보
- 표준 SMILES
CNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C1- InChIKey
ITLUJXOWXJGURR-UHFFFAOYSA-N- 분자식
- C20H24FN3O4
- 평균 분자량
- 389.4 g/mol
- 단동위원소 질량
- 389.17508442
이름 및 식별자
- 우선 이름
- 1-Cyclopropyl-6-fluoro-8-methoxy-7-{3-[(methylamino)methyl]pyrrolidin-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- IUPAC
- 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
- 영어명
- 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-Methoxy-7-[3-[(MethylaMino)Methyl]-1-pyrrolidinyl]-4-oxo-
- 분자식
- C20H24FN3O4
- 분자량
- 389.42
이름 및 동의어
112811-75-31-cyclopropyl-6-fluoro-8-methoxy-7-{3-[(methylamino)methyl]pyrrolidin-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid1-Cyclopropyl-6-fluoro-8-methoxy-7-(3-((methylamino)methyl)pyrrolidin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo-1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acidITLUJXOWXJGURR-UHFFFAOYSA-N3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[3-[(methylamino)methyl]-1-pyrrolidinyl]-4-oxo-SCHEMBL9373032DTXSID309209091-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-methylaminomethyl-1-pyrrolidinyl)-4-oxo-3-quinolinecarboxylic acid1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-quinoline-3-carboxylic acidAcenocoumarol Impurity 19
데이터베이스 식별자
- CAS
112811-75-3- PubChem CID
- 483413
- DTXSID
DTXSID30920909- Nikkaji
- J772.225G
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 82.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 668
물리화학적 성질
- 끓는 점
- 600.4 · 600.4±55.0 °C(Predicted)
- 밀도
- 1.374 · 1.374±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.42 · 6.42±0.50(Predicted)
화학 및 산업
공급사4 곳
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
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