2-Amino-4-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
기본 정보
- CAS
311324-61-5- 표준 SMILES
Cc1c(Cl)cccc1N1C(N)=C(C#N)C(c2ccc3c(c2)OCO3)C2=C1CC(C)(C)CC2=O- InChIKey
JOLBAFOCXRXSDQ-UHFFFAOYSA-N- 분자식
- C26H24ClN3O3
- 평균 분자량
- 461.9 g/mol
이름 및 식별자
- 우선 이름
- 2-Amino-4-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- IUPAC
- 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
- 영어명
- 2-amino-4-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
- 분자식
- C26H24ClN3O3
- 분자량
- 461.94006
이름 및 동의어
2-amino-4-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile311324-61-52-amino-4-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrileSTK754872AKOS001720118AKOS0220141842-amino-4-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrileAG-205/36871039SR-01000515035SR-01000515035-12-AMINO-4-(2H-1,3-BENZODIOXOL-5-YL)-1-(3-CHLORO-2-METHYLPHENYL)-7,7-DIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBONITRILE
데이터베이스 식별자
- CAS
311324-61-5
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 88.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 948
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