Ethyl 2-(4-fluorophenyl)-3-methyl-3-(1-methyl-1H-imidazol-2-yl)-4-oxo-1,2,3,4-tetrahydroquinoline-5-carboxylate
기본 정보
- 표준 SMILES
CCOC(=O)c1cccc2c1C(=O)C(C)(c1nccn1C)C(c1ccc(F)cc1)N2- InChIKey
QDEYAJCMBLULRU-UHFFFAOYSA-N- 분자식
- C23H22FN3O3
- 평균 분자량
- 407.4 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 2-(4-fluorophenyl)-3-methyl-3-(1-methyl-1H-imidazol-2-yl)-4-oxo-1,2,3,4-tetrahydroquinoline-5-carboxylate
- IUPAC
- ethyl 2-(4-fluorophenyl)-3-methyl-3-(1-methylimidazol-2-yl)-4-oxo-1,2-dihydroquinoline-5-carboxylate
이름 및 동의어
SCHEMBL2052386QDEYAJCMBLULRU-UHFFFAOYSA-NEthyl 2-(4-fluorophenyl)-3-methyl-3-(1-methyl-1H-imidazo 1-2-yl)-4-oxo-1,2,3,4-tetrahydroquinoline-5-carboxylateEthyl 2-(4-fluorophenyl)-3-methyl-3-(1-methyl-1H-imidazol-2-yl)-4-oxo-1,2,3,4-tetrahydroquinoline-5-carboxylate
데이터베이스 식별자
- PubChem CID
- 67261271
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 73.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 654
관련 반응
7건
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