4-클로로-7-메톡시퀴놀린-6-카르복사미드

4-Chloro-7-methoxyquinoline-6-carboxamide

HCID 22936418

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 417721-36-9
표준 SMILES: COc1cc2nccc(Cl)c2cc1C(N)=O
InChIKey: ZBTVNIDMGKZSGC-UHFFFAOYSA-N
분자식: C11H9ClN2O2
평균 분자량: 236.65 g/mol
단동위원소 질량: 236.03525521

이름 및 식별자

우선 이름: 4-Chloro-7-methoxyquinoline-6-carboxamide
IUPAC: 4-chloro-7-methoxyquinoline-6-carboxamide
현지명: 4-클로로-7-메톡시퀴놀린-6-카르복사미드
영어명: 4-chloro-7-Methoxyquinoline-6-carboxaMide
분자식: C11H9ClN2O2
분자량: 236.65

이름 및 동의어

4-chloro-7-methoxyquinoline-6-carboxamide417721-36-9DTXSID10629105RefChem:291930DTXCID105798587-methoxy-4-chloro-quinoline-6-carboxamideMFCD131922564-Chloro-7-methoxy-6-quinolinecarboxamideSCHEMBL1323767AKOS025146814AKOS032949975Lenvatinib Impurity B

이름 더 보기

4-클로로-7-메톡시퀴놀린-6-카르복사미드lenvaint-Esynthesis-024synthesis-1-014ine-6-carboxamideoro-7-methoxyquinoLLenvatinib Impurity 50Lenvatinib Impurity LFS-BLenvatinib chloro impurity

Lenvatinib Impurity 206-Quinolinecarboxamide, 4-chloro-7-methoxy-AMY474BCP09852Lenvatinib Impurity B6AZY53UFA4SCHEMBL31218187DS-8955

데이터베이스 식별자

CAS: 417721-36-9
PubChem CID: 22936418
DTXSID: DTXSID10629105
UNII: 6AZY53UFA4
EC Number: 992-196-8
Nikkaji: J2.661.439B

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 65.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 275

물리화학적 성질

녹는점: 205 °C · >205°C (dec.)
끓는 점: 426.7 · 426.7±45.0 °C(Predicted)
밀도: 1.38 · 1.380±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 15.28 · 15.28±0.30(Predicted)
물리적 상태: 고체
색상: 미색부터 밝은 베이지까지
InChI: InChI=1S/C11H9ClN2O2/c1-16-10-5-9-6(4-7(10)11(13)15)8(12)2-3-14-9/h2-5H,1H3,(H2,13,15)
InChIKey: ZBTVNIDMGKZSGC-UHFFFAOYSA-N
SMILES: N1C2C(=CC(C(N)=O)=C(OC)C=2)C(Cl)=CC=1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2933499090

화학 및 산업

응용 분야 · 2건

개요4-chloro-7-Methoxyquinoline-6-carboxaMide is a pharmaceutical intermediate compound used in the preparation of Lenvatinib, an oral multi-receptor tyrosine kinase inhibitor approved by the FDA for the treatment of radioiodine-refractory differentiated thyroid cancer (DTC), unresectable (DTC), unresectable hepatocellular carcinoma (HCC), and advanced renal cell carcinoma (RCC).

용도Pharmaceutical Intermediates. 4-chloro-7-Methoxyquinoline-6-carboxaMide is used as an intermediate for synthesizing Lenvatinibis.