기본 정보
- CAS
421572-17-0- 표준 SMILES
COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCCC2)C3c2ccc(F)cc2)cc1OC- InChIKey
CCXNBXWNUQWAJV-UHFFFAOYSA-N- 분자식
- C31H34FNO5
- 평균 분자량
- 519.6 g/mol
- 단동위원소 질량
- 519.24210135
이름 및 식별자
- 우선 이름
- Cyclohexyl 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- cyclohexyl 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- 영어명
- cyclohexyl 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C31H34FNO5
- 분자량
- 519.6
이름 및 동의어
cyclohexyl 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylatecyclohexyl 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateOprea1_250597Oprea1_700370GNF-Pf-4703CHEMBL584621MFCD02224227STK085506AKOS000537767AKOS021998559cyclohexyl 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateZINC000000679076
이름 더 보기
3-Quinolinecarboxylic acid, 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, cyclohexyl ester
ZINC000000679088ST50009828AG-690/40749304SR-01000480931SR-01000480931-1COc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)F)C(=O)OC1CCCCC1)CCC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)F)C(=O)OC5CCCCC5cyclohexyl 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,6,7,8 -pentahydroquinoline-3-carboxylate
데이터베이스 식별자
- CAS
421572-17-0- PubChem CID
- 3132514
- ChEMBL
CHEMBL584621
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 73.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 946
화학 및 산업
공급사2 곳
SPECS[email protected]
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