4-(3-chloro-phenyl)-6-[(5-chloro-pyridin-2-yl)-hydroxy-(3-methyl-3H-imidazol-4-yl)-methyl]-1-cyclopropylmethyl-1H-quinolin-2-one
기본 정보
- 표준 SMILES
Cn1cncc1C(O)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2CC1CC1)c1ccc(Cl)cn1- InChIKey
YJYDOBIWVPJVBK-UHFFFAOYSA-N- 분자식
- C29H24Cl2N4O2
- 평균 분자량
- 531.4 g/mol
- 단동위원소 질량
- 530.1276314
이름 및 식별자
- 우선 이름
- 4-(3-chloro-phenyl)-6-[(5-chloro-pyridin-2-yl)-hydroxy-(3-methyl-3H-imidazol-4-yl)-methyl]-1-cyclopropylmethyl-1H-quinolin-2-one
- IUPAC
- 4-(3-chlorophenyl)-6-[(5-chloro-2-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(cyclopropylmethyl)quinolin-2-one
이름 및 동의어
SCHEMBL6172283YJYDOBIWVPJVBK-UHFFFAOYSA-N4-(3-chloro-phenyl)-6-[(5-chloro-pyridin-2-yl)-hydroxy-(3-methyl-3H-imidazol-4-y)-methyl]-1-cyclopropylmethyl-1H-quinolin-2-one4-(3-chloro-phenyl)-6-[(5-chloro-pyridin-2-yl)-hydroxy-(3-methyl-3H-imidazol-4-yl)-methyl]-1-cyclopropylmethyl-1H-quinolin-2-one
데이터베이스 식별자
- PubChem CID
- 12016679
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 71.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 884
관련 반응
3건
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