9-Fluoro-7-hydroxy-3-methyl-5-oxo-N-(2-pyridinyl)-2,3-dihydro-1H,5H-pyrido[3,2,1-IJ]quinoline-6-carboxamide
기본 정보
- CAS
500106-81-0- 표준 SMILES
CC1CCc2cc(F)cc3c(O)c(C(=O)Nc4ccccn4)c(=O)n1c23- InChIKey
VELOXNCMUDPDJP-UHFFFAOYSA-N- 분자식
- C19H16FN3O3
- 평균 분자량
- 353.3 g/mol
- 단동위원소 질량
- 353.11756954
이름 및 식별자
- 우선 이름
- 9-Fluoro-7-hydroxy-3-methyl-5-oxo-N-(2-pyridinyl)-2,3-dihydro-1H,5H-pyrido[3,2,1-IJ]quinoline-6-carboxamide
- IUPAC
- 7-fluoro-4-hydroxy-12-methyl-2-oxo-N-pyridin-2-yl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
- 영어명
- 9-fluoro-1-hydroxy-5-methyl-3-oxo-N-(pyridin-2-yl)-3,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxamide
- 분자식
- C19H16FN3O3
- 분자량
- 353.35
이름 및 동의어
TimTec1_007943HMS1556J01STL335841STL509884AKOS000626317AKOS022104341AKOS037490434IDI1_033597EU-0099083ST50021812SR-01000589237SR-01000589237-1
이름 더 보기
1H,5H-Benzo[ij]quinolizine-6-carboxamide, 9-fluoro-2,3-dihydro-7-hydroxy-3-methyl-5-oxo-N-2-pyridinyl-
9-fluoro-1-hydroxy-5-methyl-3-oxo-N-(pyridin-2-yl)-3,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxamide9-fluoro-3-hydroxy-5-methyl-1-oxo-N-(pyridin-2-yl)-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxamide9-FLUORO-7-HYDROXY-3-METHYL-5-OXO-N-(2-PYRIDINYL)-2,3-DIHYDRO-1H,5H-PYRIDO[3,2,1-IJ]QUINOLINE-6-CARBOXAMIDE9-fluoro-7-hydroxy-3-methyl-5-oxo-N-(pyridin-2-yl)-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide
데이터베이스 식별자
- CAS
500106-81-0- PubChem CID
- 54679462
- EC Number
- 125-841-1
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 82.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 638
물리화학적 성질
- 녹는점
- 238 · 238-240 °C(Solv: N,N-dimethylformamide (68-12-2))
- 끓는 점
- 595 · 595.0±50.0 °C(Predicted)
- 밀도
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
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