2-(2,4-dimethylphenyl)-N-[2-(4-{[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}-1-piperazinyl)ethyl]-4-quinolinecarboxamide
기본 정보
- CAS
438475-63-9- 표준 SMILES
Cc1ccc(-c2cc(C(=O)NCCN3CCN(C(=O)c4cc(-c5ccc(C)cc5C)nc5ccccc45)CC3)c3ccccc3n2)c(C)c1- InChIKey
BYWMTPKCHHBWLG-UHFFFAOYSA-N- 분자식
- C42H41N5O2
- 평균 분자량
- 647.8 g/mol
이름 및 식별자
- 우선 이름
- 2-(2,4-dimethylphenyl)-N-[2-(4-{[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}-1-piperazinyl)ethyl]-4-quinolinecarboxamide
- IUPAC
- 2-(2,4-dimethylphenyl)-N-[2-[4-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
- 영어명
- 2-(2,4-dimethylphenyl)-N-[2-(4-{[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}-1-piperazinyl)ethyl]-4-quinolinecarboxamide
- 분자식
- C42H41N5O2
- 분자량
- 647.80724
이름 및 동의어
2-(2,4-dimethylphenyl)-N-[2-(4-{[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}-1-piperazinyl)ethyl]-4-quinolinecarboxamideAK-968/15253646STK419671AKOS0032993172-(2,4-dimethylphenyl)-N-[2-[4-[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide2-(2,4-dimethylphenyl)-N-[2-(4-{[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonyl}piperazin-1-yl)ethyl]quinoline-4-carboxamide2-(2,4-DIMETHYLPHENYL)-N~4~-[2-(4-{[2-(2,4-DIMETHYLPHENYL)-4-QUINOLYL]CARBONYL}PIPERAZINO)ETHYL]-4-QUINOLINECARBOXAMIDE
데이터베이스 식별자
- CAS
438475-63-9
물성
구조 계산 물성
- XLogP
- 7.5
- 극성 표면적
- 78.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 1,110
관련 반응
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