1-(4-Cyano-2-fluorophenyl)-7-methoxy-3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-8-yl trifluoromethanesulfonate (HCID 86689179)

기본 정보

표준 SMILES: COc1cc2ncc3c(c2cc1OS(=O)(=O)C(F)(F)F)n(-c1ccc(C#N)cc1F)c(=O)n3C
InChIKey: JEQLEOYQKITPDW-UHFFFAOYSA-N
분자식: C20H12F4N4O5S
평균 분자량: 496.4 g/mol
단동위원소 질량: 496.04645332

이름 및 식별자

우선 이름: 1-(4-Cyano-2-fluorophenyl)-7-methoxy-3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-8-yl trifluoromethanesulfonate
IUPAC: [1-(4-cyano-2-fluorophenyl)-7-methoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl] trifluoromethanesulfonate

이름 및 동의어

1-(4-Cyano-2-fluorophenyl)-7-methoxy-3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-8-yl trifluoromethanesulfonateSCHEMBL174519[1-(4-cyano-2-fluorophenyl)-7-methoxy-3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-8-yl]trifluoromethanesulfonate

데이터베이스 식별자

PubChem CID: 86689179

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 121 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 11
회전 가능 결합 수: 4
무거운 원자 수: 34
형식 전하: 0
복잡도: 951

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