N-[2-(2-azabicyclo[2.2.2]oct-2-yl)quinolin-6-yl]-N'-[4-(methylthio)phenyl]urea

HCID 22018942
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Basic information

Standard SMILES
CSc1ccc(NC(=O)Nc2ccc3nc(N4CC5CCC4CC5)ccc3c2)cc1
InChIKey
OHIFSGGFIFNZQP-UHFFFAOYSA-N
Molecular formula
C24H26N4OS
Average molar mass
418.6 g/mol

Names & identifiers

Preferred name
N-[2-(2-azabicyclo[2.2.2]oct-2-yl)quinolin-6-yl]-N'-[4-(methylthio)phenyl]urea
IUPAC
1-[2-(2-azabicyclo[2.2.2]octan-2-yl)quinolin-6-yl]-3-(4-methylsulfanylphenyl)urea

Names & synonyms

SCHEMBL5873688OHIFSGGFIFNZQP-UHFFFAOYSA-NN-[2-(2-azabicyclo[2.2.2]oct-2-yl)quinolin-6-yl]-N'-[4-(methylthio)phenyl]urea

Database identifiers

PubChem CID
22018942

Properties

Computed structural properties

XLogP
5
Topological polar surface area
82.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
30

Related reactions

2 records
New reaction record

Compound notes

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