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417716-92-8

Basic Information
CAS No.: 417716-92-8
Name: 4-[3-Chloro-4-(cyclopropylaminocarbonyl)aminophenoxy]-7-methoxy-6-quinolinecarboxamide
Article Data: 37
Cas Database
Molecular Structure:
Molecular Structure of 417716-92-8 (4-[3-Chloro-4-(cyclopropylaminocarbonyl)aminophenoxy]-7-methoxy-6-quinolinecarboxamide)
Formula: C21H19ClN4O4
Molecular Weight: 426.859
Synonyms: Lenvatinib;6-Quinolinecarboxamide, 4-(3-chloro-4-(((cyclopropylamino)carbonyl)amino)phenoxy)-7-methoxy-;
EINECS: 1592732-453-0
Density: 1.469 g/cm3
Melting Point: N/A
Boiling Point: 627.242 °C at 760 mmHg
Flash Point: 333.144 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 115.57000
LogP: 5.23610
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Chemistry

Molecular Structure of 4-[3-Chloro-4-(cyclopropylaminocarbonyl)aminophenoxy]-7-methoxy-6-quinolinecarboxamide (CAS NO.417716-92-8):

IUPAC Name: 4-[3-Chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide
Canonical SMILES: COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl
InChI: InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28) 
InChIKey: WOSKHXYHFSIKNG-UHFFFAOYSA-N
Molecular Weight: 426.85296 [g/mol]
Molecular Formula: C21H19ClN4O4
XLogP3-AA: 2.8
H-Bond Donor: 3
H-Bond Acceptor: 5
Rotatable Bond Count: 6
Tautomer Count: 6
Exact Mass: 426.109483
MonoIsotopic Mass: 426.109483
Topological Polar Surface Area: 116
Heavy Atom Count: 30
Complexity: 634
density: 1.46

Specification

 4-[3-Chloro-4-(cyclopropylaminocarbonyl)aminophenoxy]-7-methoxy-6-quinolinecarboxamide (CAS NO.417716-92-8), its Synonyms are 6-Quinolinecarboxamide, 4-(3-chloro-4-(((cyclopropylamino)carbonyl)amino)phenoxy)-7-methoxy- ; E7080 .