4-Chloro-7-methoxyquinoline-6-carboxamide

HCID 22936418

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Grundinformationen

CAS: 417721-36-9
Standard-SMILES: COc1cc2nccc(Cl)c2cc1C(N)=O
InChIKey: ZBTVNIDMGKZSGC-UHFFFAOYSA-N
Summenformel: C11H9ClN2O2
Durchschnittliche Molmasse: 236,65 g/mol
Monoisotopische Masse: 236,03525521

Namen und Bezeichner

Bevorzugter Name: 4-Chloro-7-methoxyquinoline-6-carboxamide
IUPAC: 4-chloro-7-methoxyquinoline-6-carboxamide
Englischer Name: 4-chloro-7-Methoxyquinoline-6-carboxaMide
Summenformel: C11H9ClN2O2
Molmasse: 236.65

Namen und Synonyme

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

Weitere Namen anzeigen

lenvaint-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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 65,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 275

Physikochemische Eigenschaften

Schmelzpunkt: 205 °C · >205°C (dec.)
Siedepunkt: 426.7 · 426.7±45.0 °C(Predicted)
Dichte: 1.38 · 1.380±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
pka: 15.28 · 15.28±0.30(Predicted)
Aggregatzustand: Solid
Farbe: Off-White to Light Beige
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
CAS Datenbank: 417721 · 417721-36-9

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

hs_code: 2933499090

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung4-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).

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