2-Methylpropyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
기본 정보
- CAS
330850-83-4- 표준 SMILES
CCOc1cc(C2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)CC(c2ccc(Cl)cc2)C3)cc(Br)c1O- InChIKey
LQNXCHSXPRFQIS-UHFFFAOYSA-N- 분자식
- C29H31BrClNO5
- 평균 분자량
- 588.9 g/mol
이름 및 식별자
- 우선 이름
- 2-Methylpropyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- 2-methylpropyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- 영어명
- isobutyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C29H31BrClNO5
- 분자량
- 588.92
이름 및 동의어
2-methylpropyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateisobutyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateOprea1_581669Oprea1_623404STK070977AKOS000659038AKOS0219882892-methylpropyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateST50301231AG-690/12892991SR-01000422815SR-01000422815-1
이름 더 보기
3-Quinolinecarboxylic acid, 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-methylpropyl ester
2-methylpropyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methy l-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate330850-83-4isobutyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 84.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 925
물리화학적 성질
- 끓는 점
- 654.7 · 654.7±55.0 °C(Predicted)
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.37 · 8.37±0.40(Predicted)
관련 반응
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