N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2-fluorophenyl}-N'-(3-methylbenzoyl)thiourea

HCID 21890645
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Basic information

Standard SMILES
COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4cccc(C)c4)c(F)c3)c2cc1OC
InChIKey
PPKKKPAFVYJWJJ-UHFFFAOYSA-N
Molecular formula
C26H22FN3O4S
Average molar mass
491.5 g/mol
Monoisotopic mass
491.13150553

Names & identifiers

Preferred name
N-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2-fluorophenyl}-N'-(3-methylbenzoyl)thiourea
IUPAC
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-3-methylbenzamide

Names & synonyms

SCHEMBL5824706PPKKKPAFVYJWJJ-UHFFFAOYSA-NN-{4-[(6,7-Dimethoxy-4-quinolyl)oxy]-2-fluorophenyl}-N'-(3-methylbenzoyl)thiourea

Database identifiers

PubChem CID
21890645

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
114 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
35

Related reactions

2 records
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Compound notes

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