CAS 417722-95-3 (4-((6-(Aminocarbonyl)-7-methoxy-4-quinolinyl)oxy)-2-chlorophenyl)carbamic acid phenyl ester (HCID 22936529)

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Basic information

CAS: 417722-95-3
Standard SMILES: COc1cc2nccc(Oc3ccc(NC(=O)Oc4ccccc4)c(Cl)c3)c2cc1C(N)=O
InChIKey: BNMGPDZKAHVEQH-UHFFFAOYSA-N
Molecular formula: C24H18ClN3O5
Average molar mass: 463.9 g/mol
Monoisotopic mass: 463.0934984

Names & identifiers

Preferred name: (4-((6-(Aminocarbonyl)-7-methoxy-4-quinolinyl)oxy)-2-chlorophenyl)carbamic acid phenyl ester
IUPAC: phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]carbamate
English name: phenyl (4-((6-carbamoyl-7-methoxyquinolin-4-yl)oxy)-2-chlorophenyl)carbamate
Molecular formula: C24H18ClN3O5
Molecular weight: 463.87

Names & synonyms

417722-95-3(4-((6-(Aminocarbonyl)-7-methoxy-4-quinolinyl)oxy)-2-chlorophenyl)carbamic acid phenyl ester[4-[[6-(Aminocarbonyl)-7-methoxy-4-quinolinyl]oxy]-2-chlorophenyl]carbamic acid phenyl esterRefChem:401923814-027-8Phenyl (4-((6-carbamoyl-7-methoxyquinolin-4-yl)oxy)-2-chlorophenyl)carbamateLenvatinib Impurity 40phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]carbamateMFCD31729315Phenyloxy Descyclopropylamino Lenvatinibphenyl N-(4-(6-carbamoyl-7-methoxy-4-quinolyl)oxy-2-chlorophenyl)carbamateBNMGPDZKAHVEQH-UHFFFAOYSA-N

Show more names

Lenvatinib Impurity 58LenvatinibImpurity12HClLenvatinib Intermediates 22-chloro-4-(2,4-dinitrophenoxy)anilineLenvatinib Phenyl carbamate impurity/LNT2Phenyl N-[4-[[6-(aminocarbonyl)-7-methoxy-4-quinolinyl]oxy]-2-chlorophenyl]carbamateCarbamic acid,[4-[[6-(aminocarbonyl)-7-methoxy-4-quinolinyl]oxy]-2-chlorophenyl]-,phenyl ester

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 113 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 33
Formal charge: 0
Complexity: 676

Physicochemical properties

Boiling point: 644.8 · 644.8±55.0 °C(Predicted)
Density: 1.418 · 1.418±0.06 g/cm3(Predicted)
pka: 11.16 · 11.16±0.70(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 319 · H319-H314-H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P337+P317, P363, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Corr. 1B (100%)；Eye Irrit. 2 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H319-H314-H302
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

Chemistry & industry

Applications · 1 item

UsesPhenyloxy Descyclopropylamino Lenvatinib is an intermediate in the synthesis of Descyclopropyl Lenvatinib (D288150), a metabolite of Lenvatinib (L329400) which is an orally active inhibitor of multiple receptor tyrosine kinases including VEGF, FGF and SCF receptors.