2-((2-(benzyloxy)-4,6-dimethylpyridin-3-yl)methyl)-7-bromo-5,8-dichloro-3,4-dihydroisoquinolin-1(2H)-one

HCID 86723728

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1616289-36-1
표준 SMILES: Cc1cc(C)c(CN2CCc3c(Cl)cc(Br)c(Cl)c3C2=O)c(OCc2ccccc2)n1
InChIKey: LSKDVGRNNJFMDH-UHFFFAOYSA-N
분자식: C24H21BrCl2N2O2
평균 분자량: 520.2 g/mol
단동위원소 질량: 518.01634537

이름 및 식별자

우선 이름: 2-((2-(benzyloxy)-4,6-dimethylpyridin-3-yl)methyl)-7-bromo-5,8-dichloro-3,4-dihydroisoquinolin-1(2H)-one
IUPAC: 7-bromo-5,8-dichloro-2-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3,4-dihydroisoquinolin-1-one
영어명: 2-((2-(benzyloxy)-4,6-dimethylpyridin-3-yl)methyl)-7-bromo-5,8-dichloro-3,4-dihydroisoquinolin-1(2H)-one
분자식: C24H21BrCl2N2O2
분자량: 520.25

이름 및 동의어

1616289-36-12-((2-(benzyloxy)-4,6-dimethylpyridin-3-yl)methyl)-7-bromo-5,8-dichloro-3,4-dihydroisoquinolin-1(2H)-one1(2H)-Isoquinolinone, 7-bromo-5,8-dichloro-2-[[4,6-dimethyl-2-(phenylmethoxy)-3-pyridinyl]methyl]-3,4-dihydro-2-{[2-(benzyloxy)-4,6-dimethylpyridin-3-yl]methyl}-7-bromo-5,8-dichloro-3,4-dihydroisoquinolin-1(2H)-oneTQR977SCHEMBL15814265LSKDVGRNNJFMDH-UHFFFAOYSA-NDTXSID701109123EX-A5151DB-1627767-bromo-5,8-dichloro-2-[(4,6-dimethyl-2-phenylmethoxypyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1-one7-Bromo-5,8-dichloro-2-[[4,6-dimethyl-2-(phenylmethoxy)-3-pyridinyl]methyl]-3,4-dihydro-1(2H)-isoquinolinone

데이터베이스 식별자

CAS: 1616289-36-1
PubChem CID: 86723728
DTXSID: DTXSID701109123

물성

구조 계산 물성

XLogP: 6.4
극성 표면적: 42.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 31
형식 전하: 0
복잡도: 620

물리화학적 성질

InChI: InChI=1S/C24H21BrCl2N2O2/c1-14-10-15(2)28-23(31-13-16-6-4-3-5-7-16)18(14)12-29-9-8-17-20(26)11-19(25)22(27)21(17)24(29)30/h3-7,10-11H,8-9,12-13H2,1-2H3
InChIKey: LSKDVGRNNJFMDH-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C(Cl)=CC(Br)=C2Cl)CCN1CC1=C(C)C=C(C)N=C1OCC1=CC=CC=C1