기본 정보
- CAS
421571-98-4- 표준 SMILES
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(OC)c(OC)c3)C2)C1c1cccc(Cl)c1- InChIKey
FOORBQMDFHFEIA-UHFFFAOYSA-N- 분자식
- C27H28ClNO5
- 평균 분자량
- 482 g/mol
- 단동위원소 질량
- 481.1656007
이름 및 식별자
- 우선 이름
- ethyl 4-(3-chlorophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- IUPAC
- ethyl 4-(3-chlorophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- 영어명
- ethyl 4-(3-chlorophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C27H28ClNO5
- 분자량
- 481.97
이름 및 동의어
ethyl 4-(3-chlorophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateOprea1_232623Oprea1_383862GNF-Pf-5442CHEMBL578736CHEMBL592826MFCD02224208STK089969AKOS000537949AKOS022080203ethyl 4-(3-chlorophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateZINC000000678966
이름 더 보기
ethyl 4-(3-chlorophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate3-Quinolinecarboxylic acid, 4-(3-chlorophenyl)-7-(3,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, ethyl ester
ZINC000000678979ST50009807AG-690/40749292SR-01000480901SR-01000480901-1CCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)Cl)C(=O)CC(C2)c1ccc(c(c1)OC)OCCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)Cl)C(=O)CC(C2)C4=CC(=C(C=C4)OC)OC)Cethyl4(3chlorophenyl)7(34dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 73.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 852
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