3,5-Dimethyl-N-(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)-4-isoxazolecarboxamide

HCID 68427156
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Basic information

Standard SMILES
Cc1ccc2c(N3CCN(CCc4cccc(NC(=O)c5c(C)noc5C)c4)CC3)cccc2n1
InChIKey
GVTVQHSMLXGSDF-UHFFFAOYSA-N
Molecular formula
C28H31N5O2
Average molar mass
469.6 g/mol

Names & identifiers

Preferred name
3,5-Dimethyl-N-(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)-4-isoxazolecarboxamide
IUPAC
3,5-dimethyl-N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1,2-oxazole-4-carboxamide

Names & synonyms

SCHEMBL2882950GVTVQHSMLXGSDF-UHFFFAOYSA-N3,5-Dimethyl-N-(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)-4-isoxazolecarboxamide

Database identifiers

PubChem CID
68427156

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
74.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
35

Related reactions

4 records
New reaction record

Linked notes

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