4-(3,3-Dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-7-fluoro-3-methyl-2-(2-(methylsulfonyl)phenyl)quinoline
기본 정보
- 표준 SMILES
Cc1c(-c2ccccc2S(C)(=O)=O)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21- InChIKey
WDSGQGXIBUTPJR-UHFFFAOYSA-N- 분자식
- C31H32FN3O3S
- 평균 분자량
- 545.7 g/mol
이름 및 식별자
- 우선 이름
- 4-(3,3-Dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-7-fluoro-3-methyl-2-(2-(methylsulfonyl)phenyl)quinoline
- IUPAC
- 4-[1-[7-fluoro-3-methyl-2-(2-methylsulfonylphenyl)quinolin-4-yl]-3,3-dimethyl-2H-indol-6-yl]morpholine
이름 및 동의어
SCHEMBL2124995CHEMBL3698299WDSGQGXIBUTPJR-UHFFFAOYSA-NBDBM1246754-(3,3-Dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-7-fluoro-3-methyl-2-(2-(methylsulfonyl)phenyl)quinolineUS8765940, 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-dihydro-1H-indol-1-yl)-7-fluoro-3-methyl-2-(2-(methylsulfonyl)phenyl)quinoline
데이터베이스 식별자
- PubChem CID
- 50939476
- ChEMBL
CHEMBL3698299
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 71.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 967
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