Ethyl 2-chloromethyl-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline-3-carboxylate 1-oxide

HCID 21851158

기본 정보

표준 SMILES
CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)c2cc(OC)c(OC)cc2[n+]([O-])c1CCl
InChIKey
VIAZUXOUPABSKB-UHFFFAOYSA-N
분자식
C23H24ClNO7
평균 분자량
461.9 g/mol
단동위원소 질량
461.1241298

이름 및 식별자

우선 이름
Ethyl 2-chloromethyl-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline-3-carboxylate 1-oxide
IUPAC
ethyl 2-(chloromethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxidoquinolin-1-ium-3-carboxylate

이름 및 동의어

SCHEMBL7824197VIAZUXOUPABSKB-UHFFFAOYSA-Nethyl 2-chloromethyl-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline-3-carboxylate 1-oxideethyl 2-chloromethyl-6,7-dimethoxy-4-(3,4- dimethoxyphenyl)quinoline-3-carboxylate 1-oxideethyl 2-chloromethyl-6,7-dimethoxy-4-(3,4-dimethoxyphenyl)quinoline-3-carboxylate 1-oxide2-chloromethyl-6,7-dimethoxy-4-(3,4-dimethoxyphenyl)quinoline-3-carboxylic acid ethyl ester 1-oxide

데이터베이스 식별자

PubChem CID
21851158

물성

구조 계산 물성

XLogP
3.4
극성 표면적
88.7 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
9
무거운 원자 수
32

관련 반응

18건

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