기본 정보
- 표준 SMILES
Cn1cncc1C(N)(c1ccc(Cl)nc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2CC1CC1- InChIKey
VXTDNGFVFBFDAK-UHFFFAOYSA-N- 분자식
- C29H25Cl2N5O
- 평균 분자량
- 530.4 g/mol
이름 및 식별자
- 우선 이름
- (+)-6-[Amino-(6-Chloro-Pyridin-3-yl)-(3-Methyl-3H-Imidazol-4-yl)-Methyl]-4-(3-Chloro-Phenyl)-1-Cyclopropylmethyl-1H-Quinolin-2-One
- IUPAC
- 6-[amino-(6-chloro-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-(cyclopropylmethyl)quinolin-2-one
이름 및 동의어
SCHEMBL3499107VXTDNGFVFBFDAK-UHFFFAOYSA-N(+)-6-[Amino-(6-chloro-pyridin-3-yl)-(3-methyl-3H-imidazol-4-yl)-methyl]-4-(3-chloro-phenyl)-1-cyclopropylmethyl-1 H-quinolin-2-one(+)-6-[Amino-(6-Chloro-Pyridin-3-yl)-(3-Methyl-3H-Imidazol-4-yl)-Methyl]-4-(3-Chloro-Phenyl)-1-Cyclopropylmethyl-1H-Quinolin-2-One(+)-6-[Amino-(6-chloro-pyridin-3-yl)-(3-methyl-3H-imidazol4-yl)-methyl]4-(3-chloro-phenyl)-1-cyclopropylmethyl-1H-quinolin-2-one
데이터베이스 식별자
- PubChem CID
- 9849901
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 77 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 882
관련 반응
9건
화합물 노트
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