2,2'-Methylenebis(9-fluoro-1-hydroxy-5-methyl-6,7-dihydropyrido[3,2,1-IJ]quinolin-3(5H)-one)
기본 정보
- CAS
892155-41-8- 표준 SMILES
CC1CCc2cc(F)cc3c(O)c(Cc4c(O)c5cc(F)cc6c5n(c4=O)C(C)CC6)c(=O)n1c23- InChIKey
GTKRFPJKUIWEMM-UHFFFAOYSA-N- 분자식
- C27H24F2N2O4
- 평균 분자량
- 478.5 g/mol
- 단동위원소 질량
- 478.17041358
이름 및 식별자
- 우선 이름
- 2,2'-Methylenebis(9-fluoro-1-hydroxy-5-methyl-6,7-dihydropyrido[3,2,1-IJ]quinolin-3(5H)-one)
- IUPAC
- 7-fluoro-3-[(7-fluoro-4-hydroxy-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-3-yl)methyl]-4-hydroxy-12-methyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one
- 영어명
- 2,2'-Methylenebis(9-fluoro-1-hydroxy-5-methyl-6,7-dihydropyrido[3,2,1-ij]quinolin-3(5H)-one)
- 분자식
- C27H24F2N2O4
- 분자량
- 478.49
이름 및 동의어
AKOS024407486ST512263132,2'-METHYLENEBIS(9-FLUORO-1-HYDROXY-5-METHYL-6,7-DIHYDROPYRIDO[3,2,1-IJ]QUINOLIN-3(5H)-ONE)7-fluoro-3-[(7-fluoro-4-hydroxy-12-methyl-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-3-yl)methyl]-4-hydroxy-12-methyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-onedi(9-fluoro-1-hydroxy-5-methyl-3-oxo-6,7-dihydro-3h,5h-pyrido[3,2,1-ij]quinolin-2-yl)methane1H,5H-Benzo[ij]quinolizin-5-one, 6,6′-methylenebis[9-fluoro-2,3-dihydro-7-hydroxy-3-methyl-
데이터베이스 식별자
- CAS
892155-41-8- PubChem CID
- 54679208
- EC Number
- 125-850-0
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 81.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 933
물리화학적 성질
- 녹는점
- 288 · 288-290 °C(Solvent: Dimethylformamide)
- 끓는 점
- 658.286 · 658.286±55.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.521 · 1.521±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 4.199 · 4.199±1.00(predicted)
관련 반응
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