(2-Isobutoxy-5-methanesulfonyl-phenyl)-(4-quinolin-2-yl-piperazin-1-yl)-methanone

HCID 11619702
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Basic information

Standard SMILES
CC(C)COc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ccc3ccccc3n2)CC1
InChIKey
KTNLXMMJEDIRAT-UHFFFAOYSA-N
Molecular formula
C25H29N3O4S
Average molar mass
467.6 g/mol

Names & identifiers

Preferred name
(2-Isobutoxy-5-methanesulfonyl-phenyl)-(4-quinolin-2-yl-piperazin-1-yl)-methanone
IUPAC
[2-(2-methylpropoxy)-5-methylsulfonylphenyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone

Names & synonyms

SCHEMBL1377361KTNLXMMJEDIRAT-UHFFFAOYSA-N(2-Isobutoxy-5-methanesulfonyl-phenyl)-(4-quinolin-2-yl-piperazin-1-yl)-methanone

Database identifiers

PubChem CID
11619702

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
88.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
33

Related reactions

3 records
New reaction record

Compound notes

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