2-(3,4-dimethoxyphenyl)-N-[[3-[[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
기본 정보
- CAS
547751-05-3- 표준 SMILES
COc1ccc(-c2cc(C(=O)NCc3cccc(CNC(=O)c4cc(-c5ccc(OC)c(OC)c5)nc5ccccc45)c3)c3ccccc3n2)cc1OC- InChIKey
QFJZFBYPKSMZHV-UHFFFAOYSA-N- 분자식
- C44H38N4O6
- 평균 분자량
- 718.8 g/mol
이름 및 식별자
- 우선 이름
- 2-(3,4-dimethoxyphenyl)-N-[[3-[[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
- IUPAC
- 2-(3,4-dimethoxyphenyl)-N-[[3-[[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
- 영어명
- 2-(3,4-dimethoxyphenyl)-N-{3-[({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)methyl]benzyl}-4-quinolinecarboxamide
- 분자식
- C44H38N4O6
- 분자량
- 718.79572
이름 및 동의어
2-(3,4-dimethoxyphenyl)-N-{3-[({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)methyl]benzyl}-4-quinolinecarboxamideAK-968/13033583STK437755AKOS0032986492-(3,4-dimethoxyphenyl)-N-[[3-[[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamideST50924599N,N'-(benzene-1,3-diyldimethanediyl)bis[2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide][2-(3,4-dimethoxyphenyl)(4-quinolyl)]-N-{[3-({[2-(3,4-dimethoxyphenyl)(4-quino lyl)]carbonylamino}methyl)phenyl]methyl}carboxamide
데이터베이스 식별자
- CAS
547751-05-3
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 1,120
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