Hla-20

HCID 6918819

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 686722-53-2
표준 SMILES: C#CCN1CCN(Cc2ccc(O)c3ncccc23)CC1
InChIKey: JWUOZHTYFQHGAB-UHFFFAOYSA-N
분자식: C17H19N3O
평균 분자량: 281.35 g/mol
단동위원소 질량: 281.15281223

개요

InChIKey JWUOZHTYFQHGAB-UHFFFAOYSA-N

이름 및 식별자

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

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 39.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 21
형식 전하: 0
복잡도: 383

실험 및 물리화학적 성질

LogP1.79

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

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)