Cyclohexyl 4-(2-chlorophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
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기본 정보
- CAS
421572-43-2- 표준 SMILES
COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)C3c2ccccc2Cl)cc1OC- InChIKey
NZUTWBGUAKQCIS-UHFFFAOYSA-N- 분자식
- C31H34ClNO5
- 평균 분자량
- 536.1 g/mol
- 단동위원소 질량
- 535.2125509
이름 및 식별자
- 우선 이름
- Cyclohexyl 4-(2-chlorophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- cyclohexyl 4-(2-chlorophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- 영어명
- cyclohexyl 4-(2-chlorophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C31H34ClNO5
- 분자량
- 536.06
이름 및 동의어
cyclohexyl 4-(2-chlorophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylatecyclohexyl 4-(2-chlorophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateOprea1_001777Oprea1_344819MFCD02224253STK087450AKOS001653092AKOS021998614cyclohexyl 4-(2-chlorophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateZINC000100705887ZINC000100705902ST50009848
이름 더 보기
3-Quinolinecarboxylic acid, 4-(2-chlorophenyl)-7-(3,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, cyclohexyl ester
AG-690/40749820SR-01000480964SR-01000480964-1COc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1Cl)C(=O)OC1CCCCC1)CCC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4Cl)C(=O)OC5CCCCC5cyclohexyl 7-(3,4-dimethoxyphenyl)-4-(2-chlorophenyl)-2-methyl-5-oxo-1,4,6,7,8 -pentahydroquinoline-3-carboxylatecyclohexyl4(2chlorophenyl)7(34dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylatecyclohexyl4(2chlorophenyl)7(34dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
데이터베이스 식별자
- CAS
421572-43-2- PubChem CID
- 3132542
물성
구조 계산 물성보충 중
- XLogP
- 6.2
- 극성 표면적
- 73.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 954
물리화학적 성질
- 끓는 점
- 655.2 · 655.2±55.0 °C(Predicted)
- 밀도
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.66 · 0.66±0.70(Predicted)
관련 반응
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