2(1H)-Quinolinone, 6-((4-chlorophenyl)hydroxy(1-methyl-1H-imidazol-5-yl)methyl)-4-(3-ethynylphenyl)-1-methyl-
기본 정보
- CAS
439153-64-7- 표준 SMILES
C#Cc1cccc(-c2cc(=O)n(C)c3ccc(C(O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O- InChIKey
WIHRGTVFMAFKLZ-LREBCSMRSA-N- 분자식
- C33H28ClN3O8
- 평균 분자량
- 630 g/mol
- 단동위원소 질량
- 629.1564926
이름 및 식별자
- 우선 이름
- 2(1H)-Quinolinone, 6-((4-chlorophenyl)hydroxy(1-methyl-1H-imidazol-5-yl)methyl)-4-(3-ethynylphenyl)-1-methyl-
- IUPAC
- 6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one;(2R,3R)-2,3-dihydroxybutanedioic acid
- 영어명
- LNK754
- 분자식
- C33H28ClN3O8
- 분자량
- 630.04372
이름 및 동의어
LNK 754439153-64-7OSI 7542(1H)-Quinolinone, 6-((4-chlorophenyl)hydroxy(1-methyl-1H-imidazol-5-yl)methyl)-4-(3-ethynylphenyl)-1-methyl-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one;(2R,3R)-2,3-dihydroxybutanedioic acidDTXSID601959866-((4-chlorophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl)-4-(3-ethynylphenyl)-1-methylquinolin-2(1H)-one (2R,3R)-2,3-dihydroxysuccinate(2R,3R)-2,3-Dihydroxybutanedioic acid--6-[(4-chlorophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2(1H)-one (1/1)(Rac)-CP-609754(Rac) CP 609754,(Rac)CP6097542(1H)-Quinolinone, 6-[(4-chlorophenyl)hydroxy(1-methyl-1H-imidazol-5-yl)methyl]-4-(3-ethynylphenyl)-1-methyl-
데이터베이스 식별자
- CAS
439153-64-7- PubChem CID
- 56843795
- DTXSID
DTXSID60195986
물성
구조 계산 물성
- 극성 표면적
- 173 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,010
물리화학적 성질
- 끓는 점
- 702.4 · 702.4±60.0 °C(Predicted)
- 밀도
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
- 산도 계수 (pKa)
- 12.28 · 12.28±0.29(Predicted)
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…