기본 정보
- CAS
489397-94-6- 표준 SMILES
Cc1cccc(NC(=O)c2c(O)c3cc(F)cc4c3n(c2=O)C(C)CC4)n1- InChIKey
BPRCZYQKHPNDFQ-UHFFFAOYSA-N- 분자식
- C20H18FN3O3
- 평균 분자량
- 367.4 g/mol
- 단동위원소 질량
- 367.13321961
이름 및 식별자
- 우선 이름
- 9-Fluoro-7-hydroxy-3-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-IJ]quinoline-6-carboxamide
- IUPAC
- 7-fluoro-4-hydroxy-12-methyl-N-(6-methyl-2-pyridinyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
- 영어명
- 9-fluoro-1-hydroxy-5-methyl-N-(6-methylpyridin-2-yl)-3-oxo-3,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxamide
- 분자식
- C20H18FN3O3
- 분자량
- 367.37
이름 및 동의어
STL334557STL509796AKOS022130844AKOS0374903499-fluoro-1-hydroxy-5-methyl-N-(6-methylpyridin-2-yl)-3-oxo-3,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxamide9-fluoro-3-hydroxy-5-methyl-N-(6-methylpyridin-2-yl)-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxamide9-FLUORO-7-HYDROXY-3-METHYL-N-(6-METHYL-2-PYRIDINYL)-5-OXO-2,3-DIHYDRO-1H,5H-PYRIDO[3,2,1-IJ]QUINOLINE-6-CARBOXAMIDE9-fluoro-7-hydroxy-3-methyl-N-(6-methylpyridin-2-yl)-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide1H,5H-Benzo[ij]quinolizine-6-carboxamide, 9-fluoro-2,3-dihydro-7-hydroxy-3-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-
데이터베이스 식별자
- CAS
489397-94-6- PubChem CID
- 54705265
- EC Number
- 125-843-2
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 82.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 667
물리화학적 성질
- 녹는점
- 222 · 222-224 °C(Solv: N,N-dimethylformamide (68-12-2))
- 끓는 점
- 589.2 · 589.2±50.0 °C(Predicted)
- 밀도
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
화학 및 산업
공급사2 곳
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
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