Ethyl 4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-1-methyl-2-oxo-1,2-dihydro-3-quinolinecarboxylate
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기본 정보
- CAS
860789-41-9- 표준 SMILES
CCOC(=O)c1c(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c2ccccc2n(C)c1=O- InChIKey
VHSWLXRHUYPGOW-UHFFFAOYSA-N- 분자식
- C23H22ClF3N4O3
- 평균 분자량
- 494.9 g/mol
- 단동위원소 질량
- 494.1332528
이름 및 식별자
- 우선 이름
- Ethyl 4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-1-methyl-2-oxo-1,2-dihydro-3-quinolinecarboxylate
- IUPAC
- ethyl 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate
- 영어명
- ETHYL 4-(4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINO)-1-METHYL-2-OXO-1,2-DIHYDRO-3-QUINOLINECARBOXYLATE
- 분자식
- C23H22ClF3N4O3
- 분자량
- 494.89
이름 및 동의어
860789-41-9ethyl 4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-1-methyl-2-oxo-1,2-dihydro-3-quinolinecarboxylateethyl 4-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylateethyl 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylateAKOS0050840551W-0305ethyl4-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylateETHYL 4-(4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINO)-1-METHYL-2-OXO-1,2-DIHYDRO-3-QUINOLINECARBOXYLATE3-Quinolinecarboxylic acid, 4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-1,2-dihydro-1-methyl-2-oxo-, ethyl ester
데이터베이스 식별자
- CAS
860789-41-9- PubChem CID
- 3764146
물성
구조 계산 물성보충 중
- XLogP
- 4.2
- 극성 표면적
- 66 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 816
물리화학적 성질
- 끓는 점
- 574 · 574.0±50.0 °C(Predicted)
- 밀도
- 1.404 · 1.404±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.88 · 4.88±0.70(Predicted)
관련 반응
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