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