2-(4-(8-Bromo-3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile
기본 정보
- CAS
915019-50-0- 표준 SMILES
Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(Br)ccc3ncc21- InChIKey
AEWUWGWDTHMGQU-UHFFFAOYSA-N- 분자식
- C21H17BrN4O
- 평균 분자량
- 421.3 g/mol
- 단동위원소 질량
- 420.05857
이름 및 식별자
- 우선 이름
- 2-(4-(8-Bromo-3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile
- IUPAC
- 2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile
- 영어명
- Benzeneacetonitrile, 4-(8-bromo-2,3-dihydro-3-methyl-2-oxo-1H-imidazo[4,5-c]quinolin-1-yl)-.alpha.,.alpha.-dimethyl-
- 분자식
- C21H17BrN4O
- 분자량
- 421.3
이름 및 동의어
915019-50-02-(4-(8-Bromo-3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile2-[4-(8-Bromo-3-methyl-2-oxo-2,3-dihydroimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropionitrile2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile2-(4-{8-BROMO-3-METHYL-2-OXOIMIDAZO[4,5-C]QUINOLIN-1-YL}PHENYL)-2-METHYLPROPANENITRILEBENZENEACETONITRILE, 4-(8-BROMO-2,3-DIHYDRO-3-METHYL-2-OXO-1H-IMIDAZO[4,5-C]QUINOLIN-1-YL)-.ALPHA.,.ALPHA.-DIMETHYL-C21H17BrN4O2-[4-(8-Bromo-3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile2-[4-(8-bromo-3-methyl-2-oxo-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-2-methyl-propionitrileSCHEMBL993134DTXSID90655023AEWUWGWDTHMGQU-UHFFFAOYSA-N
이름 더 보기
2-[4-(3-Amino-6-bromo-quinolin-4-ylamino)-phenyl]-2-methyl-propionitrile4-(8-Bromo-2,3-dihydro-3-methyl-2-oxo-1H-imidazo[4,5-c]quinolin-1-yl)-α,α-dimethylbenzeneacetonitrileBenzeneacetonitrile, 4-(8-broMo-2,3-dihydro-3-Methyl-2-oxo-1H-iMidazo[4,5-c]quinolin-1-yl)-a,a-diMethyl-Benzeneacetonitrile, 4-(8-bromo-2,3-dihydro-3-methyl-2-oxo-1H-imidazo[4,5-c]quinolin-1-yl)-α,α-dimethyl-4-(8-bromo-2,3-dihydro-3-methyl-2-oxo-1H-imidazo[4,5-c]quinolin-1-yl)-alpha,alpha-dimethylbenzeneacetonitrile
CS-B0358MFCD12406066AKOS015918791CS-14042DB-364005ST51056473F127792-[4-(8-bromo-3-methyl-2-oxo-imidazo[4,5-c]quinolin-1-yl)phenyl]-2-methyl-propanenitrile
데이터베이스 식별자
- CAS
915019-50-0- PubChem CID
- 42609570
- DTXSID
DTXSID90655023
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 60.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 635
물리화학적 성질
- 끓는 점
- 598.8 · 598.8±60.0 °C(Predicted)
- 밀도
- 1.478 · 1.478±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.19 · 6.19±0.20(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
관련 반응
10건
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