[7-Chloro-9-(4-methylpiperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-methanol
기본 정보
- 표준 SMILES
CN1CCN(Cc2c(CO)c(Cl)nc3cc4c(cc23)OCCO4)CC1- InChIKey
QEXNYBAXFWRYNV-UHFFFAOYSA-N- 분자식
- C18H22ClN3O3
- 평균 분자량
- 363.8 g/mol
이름 및 식별자
- 우선 이름
- [7-Chloro-9-(4-methylpiperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-methanol
- IUPAC
- [7-chloro-9-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]methanol
이름 및 동의어
SCHEMBL6431174QEXNYBAXFWRYNV-UHFFFAOYSA-N[7-chloro-9-(4-methyl-piperazin-1-yl-methyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-methanol[7-chloro-9-(4-methyl-piperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-methanol[7-chloro-9-(4-methylpiperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-methanol[7-chloro-9-(4-methylpiperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8yl]-methanol7-chloro-9-(4-methylpiperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-methanol
데이터베이스 식별자
- PubChem CID
- 22637071
- Nikkaji
- J891.221A
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 58.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 449
관련 반응
12건
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