기본 정보
- CAS
80834-52-2- 표준 SMILES
O=C1CCc2cc(C(O)CCCN3CCN(c4cccc(Cl)c4)CC3)ccc2N1- InChIKey
GOKCVODNFKBBAQ-UHFFFAOYSA-N- 분자식
- C23H28ClN3O2
- 평균 분자량
- 413.9 g/mol
- 단동위원소 질량
- 413.1870048
이름 및 식별자
- 우선 이름
- 2(1H)-Quinolinone, 3,4-dihydro-6-(4-(4-(3-chlorophenyl)-1-piperazinyl)-1-hydroxybutyl)-
- IUPAC
- 6-[4-[4-(3-chlorophenyl)piperazin-1-yl]-1-hydroxybutyl]-3,4-dihydro-1H-quinolin-2-one
이름 및 동의어
6-(1-Hydroxy-4-(4-(3-chlorophenyl)-1-piperazinyl)butyl)-3,4-dihydrocarbostyril80834-52-22(1H)-Quinolinone, 3,4-dihydro-6-(4-(4-(3-chlorophenyl)-1-piperazinyl)-1-hydroxybutyl)-6-(4-(4-(3-chlorophenyl)-1-piperazinyl)-1-hydroxybutyl)-3,4-dihydro-2(1H)-quinolinone6-{1-hydroxy-4-[4-(3-chlorophenyl)-1-piperazinyl]butyl}-3,4-dihydrocarbostyrilRefChem:241404SCHEMBL10837913GOKCVODNFKBBAQ-UHFFFAOYSA-NDTXSID4010015526-{1-hydroxy-4-[4-(3-chlorophenyl) -1- piperazinyl]butyl}-3,4-dihydrocarbostyril6-{1-hydroxy-4[4-(3-chlorophenyl)-1-piperazinyl]butyl}-3,4-dihydrocarbostyril6-{4-[4-(3-Chlorophenyl)piperazin-1-yl]-1-hydroxybutyl}-3,4-dihydroquinolin-2(1H)-one
데이터베이스 식별자
- CAS
80834-52-2- PubChem CID
- 3067079
- DTXSID
DTXSID401001552
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 540
관련 반응
8건
화합물 노트
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