6-[(6-Chloro-pyridin-3-yl)-hydroxy-(3-methyl-3H-imidazol-4-yl)-methyl]4-(3-ethoxy-phenyl)-1-isobutyl-1H-quinolin-2-one
기본 정보
- 표준 SMILES
CCOc1cccc(-c2cc(=O)n(CC(C)C)c3ccc(C(O)(c4ccc(Cl)nc4)c4cncn4C)cc23)c1- InChIKey
TZPQKWPPKLDKLG-UHFFFAOYSA-N- 분자식
- C31H31ClN4O3
- 평균 분자량
- 543.1 g/mol
- 단동위원소 질량
- 542.2084686
이름 및 식별자
- 우선 이름
- 6-[(6-Chloro-pyridin-3-yl)-hydroxy-(3-methyl-3H-imidazol-4-yl)-methyl]4-(3-ethoxy-phenyl)-1-isobutyl-1H-quinolin-2-one
- IUPAC
- 6-[(6-chloro-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethoxyphenyl)-1-(2-methylpropyl)quinolin-2-one
이름 및 동의어
SCHEMBL6179602TZPQKWPPKLDKLG-UHFFFAOYSA-N6-[(6-Chloro-Pyridin-3-yl)-Hydroxy-(3-Methyl-3H-Imidazol-4-yl)-Methyl]-4-(3-Ethoxy-Phenyl)-1-Isobutyl-1H-Quinolin-2-One6-[(6-Chloro-pyridin-3-yl)-hydroxy-(3-methyl-3H-imidazol-4-yl)-methyl]4-(3-ethoxy-phenyl)-1-isobutyl-1H-quinolin-2-one
데이터베이스 식별자
- PubChem CID
- 22465400
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 80.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 886
관련 반응
3건
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