2-(3,4-dimethylphenyl)-N-(3-{4-[3-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)propyl]piperazin-1-yl}propyl)quinoline-4-carboxamide
기본 정보
- CAS
330644-84-3- 표준 SMILES
Cc1ccc(-c2cc(C(=O)NCCCN3CCN(CCCNC(=O)c4cc(-c5ccc(C)c(C)c5)nc5ccccc45)CC3)c3ccccc3n2)cc1C- InChIKey
MIZYOEWHXCJKJR-UHFFFAOYSA-N- 분자식
- C46H50N6O2
- 평균 분자량
- 718.9 g/mol
이름 및 식별자
- 우선 이름
- 2-(3,4-dimethylphenyl)-N-(3-{4-[3-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)propyl]piperazin-1-yl}propyl)quinoline-4-carboxamide
- IUPAC
- 2-(3,4-dimethylphenyl)-N-[3-[4-[3-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]propyl]piperazin-1-yl]propyl]quinoline-4-carboxamide
- 영어명
- 2-(3,4-dimethylphenyl)-N-(3-{4-[3-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)propyl]piperazin-1-yl}propyl)quinoline-4-carboxamide
- 분자식
- C46H50N6O2
- 분자량
- 718.9282
이름 및 동의어
2-(3,4-dimethylphenyl)-N-(3-{4-[3-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)propyl]piperazin-1-yl}propyl)quinoline-4-carboxamideAK-968/13035724STK426985AKOS0032985612-(3,4-dimethylphenyl)-N-[3-[4-[3-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]propyl]piperazin-1-yl]propyl]quinoline-4-carboxamideST018406[2-(3,4-dimethylphenyl)(4-quinolyl)]-N-{3-[4-(3-{[2-(3,4-dimethylphenyl)(4-qui nolyl)]carbonylamino}propyl)piperazinyl]propyl}carboxamideN,N'-(piperazine-1,4-diyldipropane-3,1-diyl)bis[2-(3,4-dimethylphenyl)quinoline-4-carboxamide]
데이터베이스 식별자
- CAS
330644-84-3
물성
구조 계산 물성
- XLogP
- 8.1
- 극성 표면적
- 90.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 1,100
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