Hla-20

HCID 6918819

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 686722-53-2
標準SMILES: C#CCN1CCN(Cc2ccc(O)c3ncccc23)CC1
InChIKey: JWUOZHTYFQHGAB-UHFFFAOYSA-N
分子式: C17H19N3O
平均分子量: 281.35 g/mol
単同位体質量: 281.15281223

概要

InChIKey JWUOZHTYFQHGAB-UHFFFAOYSA-N

名称と識別子

優先名称: Hla-20
IUPAC: 5-[(4-prop-2-ynylpiperazin-1-yl)methyl]quinolin-8-ol

名称と別名

HLA-20686722-53-22JH24KL4ZGHLA20 compound5-((4-Prop-2-ynylpiperazin-1-yl)methyl)quinolin-8-ol8-Quinolinol, 5-((4-(2-propyn-1-yl)-1-piperazinyl)methyl)-DTXSID10218816RefChem:923005DTXCID60141307VAR-102008-Quinolinol, 5-[[4-(2-propynyl)-1-piperazinyl]methyl]-5-((4-(Prop-2-yn-1-yl)piperazin-1-yl)methyl)quinolin-8-ol

名称をさらに表示

5-{[4-(PROP-2-YN-1-YL)PIPERAZIN-1-YL]METHYL}QUINOLIN-8-OLUNII-2JH24KL4ZG5-(4-propargylpiperazin-1-ylmethyl)-8-hydroxyquinoline5-[4-propargylpiperazin-1-ylmethyl]-8-hydroxyquinolineHLA20SCHEMBL113806CHEMBL496903SCHEMBL29366875

データベース識別子

CAS: 686722-53-2
PubChem CID: 6918819
DTXSID: DTXSID10218816
ChEMBL: CHEMBL496903
UNII: 2JH24KL4ZG
Nikkaji: J2.240.857G

物性

構造計算による物性

XLogP: 1.8
極性表面積: 39.6 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 21
形式電荷: 0
複雑度: 383

実験および物理化学的性質

LogP1.79

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Organic chemicals that form two or more coordination links with an iron ion. Once coordination has occurred, the complex formed is called a chelate. The iron-binding porphyrin group of hemoglobin is an example of a metal chelate found in biological systems.

A chemically heterogeneous group of drugs that have in common the ability to block oxidative deamination of naturally occurring monoamines. (From Gilman, et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed, p414)