6,7-ジメトキシ-4-ヒドロキシキノリン

6,7-Dimethoxy-4-hydroxyquinoline

HCID 459611CAS 127285-54-5

部分構造検索類似構造を探す

基本情報

標準SMILES: COc1cc2[nH]ccc(=O)c2cc1OC
InChIKey: QOGPNCUTXVZQSL-UHFFFAOYSA-N
分子式: C11H11NO3
平均分子量: 205.21 g/mol
単同位体質量: 205.07389321

名称と識別子

優先名称: 6,7-Dimethoxy-4-hydroxyquinoline
IUPAC: 6,7-dimethoxy-1H-quinolin-4-one
現地名: 6,7-ジメトキシ-4-ヒドロキシキノリン
英語名: 4-Hydroxy-6,7-dimethoxyqunioline
分子式: C11H11NO3
分子量: 205.21

名称と別名

13425-93-9127285-54-54-HYDROXY-6,7-DIMETHOXYQUINOLINE6,7-Dimethoxy-4-hydroxyquinoline4(1H)-Quinolinone, 6,7-dimethoxy-4-Quinolinol, 6,7-dimethoxy-6,7-dimethoxy-4(1H)-quinolinoneBD9X7ZL9D7RefChem:1038566,7-dimethoxyquinolin-4-ol6,7-dimethoxyquinolin-4(1H)-one6,7-Dimethoxy-1H-quinolin-4-one

名称をさらに表示

6,7-ジメトキシ-4-ヒドロキシキノリン6,7-ジメトキシ-4-キノリノール4-ヒドロキシ-6,7-ジメトキシキノリン6,7-ジメトキシキノリン-4-オール6,7-ジメトキシキノリン-4(1H)-オン6,7-ジメトキシ-1,4-ジヒドロキノリン-4-オンLactic Acid Impurity 226,7-DIMETHOXYQUINOLINE-4-OL4-Quinolinol,6,7-diMethoxy-Cabozantinib Hydroxy Analog4-hydroxy-(6,7-dimethoxyqunioine

4-Hydroxy-6,7-dimethoxyqunioline6,7-Dimethoxy-4-quinolinolMFCD073680266,7-dimethoxy-1,4-dihydroquinolin-4-oneKUC100214MFCD090319376,7-Dimethoxy-1,4-dihydro-4-quinolinone6,7-Dimethoxy-quinolin-4-ol

データベース識別子

CAS: 127285-54-5、13425-93-9
PubChem CID: 459611
DTXSID: DTXSID40928537
ChEMBL: CHEMBL163784
UNII: BD9X7ZL9D7
EC Number: 811-007-0、886-861-0
Nikkaji: J3.546.154J、J744.655A

物性

構造計算による物性

XLogP: 1.5
極性表面積: 47.6 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: 2
重原子数: 15
形式電荷: 0
複雑度: 277

物理化学的性質

融点: 227 to · 227.0 to 231.0 °C
沸点: 370.9 · 370.9±37.0 °C(Predicted)
比重(密度): 1.257 · 1.257±0.06 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: DMSO (Slightly), Methanol (Slightly, Sonicated)
外見: powder to crystal
酸解離定数(Pka): 4.26 · 4.26±0.40(Predicted)
色: Light orange to Yellow to Green
InChI: InChI=1S/C11H11NO3/c1-14-10-5-7-8(6-11(10)15-2)12-4-3-9(7)13/h3-6H,1-2H3,(H,12,13)
InChIKey: QOGPNCUTXVZQSL-UHFFFAOYSA-N
SMILES: N1C2C(=CC(OC)=C(OC)C=2)C(O)=CC=1
CAS データベース: 13425 · 13425-93-9(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

危険有害性情報

Hazard Classes and Categories · 2 件

Acute Tox. 4 (20%)

Acute Tox. 4 (100%)

安全データ

hs_code: 2933.49.7000
hazard_class: IRRITANT

化学と産業

応用分野

使用4-Hydroxy-6,7-dimethoxyqunioline, also called 6,7-Dimethoxy-4-quinolinol was used in the study of synthesis of ring-substituted 4-aminoquinolines and evaluation fo their antimalarial activities.