8-(2-Chloro-6-fluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid {5-[(dimethylcarbamoyl methyl-methyl-amino)-methyl]-pyridin-2-yl}-amide
기본 정보
- 표준 SMILES
COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(CN(C)CC(=O)N(C)C)cn3)c3nccnc23)c1F- InChIKey
NQGMNBMDTIMJLX-UHFFFAOYSA-N- 분자식
- C28H28ClFN6O4
- 평균 분자량
- 567 g/mol
이름 및 식별자
- 우선 이름
- 8-(2-Chloro-6-fluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid {5-[(dimethylcarbamoyl methyl-methyl-amino)-methyl]-pyridin-2-yl}-amide
- IUPAC
- 8-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-N-[5-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-2-pyridinyl]quinoxaline-5-carboxamide
이름 및 동의어
SCHEMBL1126562NQGMNBMDTIMJLX-UHFFFAOYSA-N8-(2-Chloro-6-fluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid {5-[(dimethylcarbamoyl methyl-methyl-amino)-methyl]-pyridin-2-yl}-amide8-(2-Chloro-6-fluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid {5-[(dimethylcarbamoylmethyl-methyl-amino)-methyl]-pyridin-2-yl}-amide
데이터베이스 식별자
- PubChem CID
- 59292864
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 858
관련 반응
5건
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