6,7-Dimethoxy-4-hydroxyquinoline

HCID 459611CAS 127285-54-5

기본 정보

표준 SMILES: COc1cc2[nH]ccc(=O)c2cc1OC
InChIKey: QOGPNCUTXVZQSL-UHFFFAOYSA-N
분자식: C11H11NO3
평균 분자량: 205.21 g/mol
단동위원소 질량: 205.07389321

이름 및 식별자

우선 이름: 6,7-Dimethoxy-4-hydroxyquinoline
IUPAC: 6,7-dimethoxy-1H-quinolin-4-one
영어명: 4-Hydroxy-6,7-dimethoxyqunioline
분자식: C11H11NO3
분자량: 205.21

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 47.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 277

물리화학적 성질

녹는점: 227 to · 227.0 to 231.0 °C
끓는 점: 370.9 · 370.9±37.0 °C(Predicted)
밀도: 1.257 · 1.257±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨, 초음파처리)
물리적 상태: powder to crystal
산도 계수 (pKa): 4.26 · 4.26±0.40(Predicted)
색상: 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

안전 및 규제

GHS 분류

GHS Classification · 6건

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]

유해성 정보

Hazard Classes and Categories · 2건

Acute Tox. 4 (20%)

Acute Tox. 4 (100%)

안전 데이터

HS 번호: 2933.49.7000
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도4-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.