4-[3-chloro-4-(1-methyl-1H-imidazole-2-ylsulfanyl)phenylamino]-7-fluoro-6-methoxyquinoline-3-carbonitrile

HCID 23498074

기본 정보

표준 SMILES
COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc2cc1F
InChIKey
YFHNTSKEUUUEDI-UHFFFAOYSA-N
분자식
C21H15ClFN5OS
평균 분자량
439.9 g/mol

이름 및 식별자

우선 이름
4-[3-chloro-4-(1-methyl-1H-imidazole-2-ylsulfanyl)phenylamino]-7-fluoro-6-methoxyquinoline-3-carbonitrile
IUPAC
4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-fluoro-6-methoxyquinoline-3-carbonitrile

이름 및 동의어

622369-57-7SCHEMBL2971320YFHNTSKEUUUEDI-UHFFFAOYSA-N4-({3-chloro-4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}amino)-7-fluoro-6-methoxyquinoline-3-carbonitrile4-({3-CHLORO-4-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]PHENYLAMINO)-7-FLUORO-6-METHOXYQUINOLINE-3-CARBONITRILEP195834-[3 chloro-4-(1-methyl-1H-imidazole-2-ylsulfanyl)-phenylamino]-7-fluoro-6-methoxyquinoline-3-carbonitrile4-[3-chloro-4-(1-methyl-1H-imidazol-2-ylsulfanyl)-phenylamino]-7-fluoro-6-methoxyquinoline-3-carbonitrile4-[3-chloro-4-(1-methyl-1H-imidazole-2-ylsulfanyl)-phenylamino]-7-fluoro-6-methoxyquinoline-3-carbonitrile4-[3-chloro-4-(1-methyl-1H-imidazole-2-ylsulfanyl)phenylamino]-7-fluoro-6-methoxyquinoline-3-carbonitrile

데이터베이스 식별자

PubChem CID
23498074

물성

구조 계산 물성

XLogP
5.2
극성 표면적
101 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
5
무거운 원자 수
30

관련 반응

22건

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