N-[4-(1-azepanyl)-3-fluorobenzyl]-2-(5-isoquinolinyl)butanamide

HCID 11293041
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Basic information

Standard SMILES
CCC(C(=O)NCc1ccc(N2CCCCCC2)c(F)c1)c1cccc2cnccc12
InChIKey
VDONUNRHDNZMGR-UHFFFAOYSA-N
Molecular formula
C26H30FN3O
Average molar mass
419.5 g/mol

Names & identifiers

Preferred name
N-[4-(1-azepanyl)-3-fluorobenzyl]-2-(5-isoquinolinyl)butanamide
IUPAC
N-[[4-(azepan-1-yl)-3-fluorophenyl]methyl]-2-isoquinolin-5-ylbutanamide

Names & synonyms

SCHEMBL4022736VDONUNRHDNZMGR-UHFFFAOYSA-NN-[4-(1-azepanyl)-3-fluorobenzyl]-2-(5-isoquinolinyl)butanamide

Database identifiers

PubChem CID
11293041

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
45.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
31

Related reactions

4 records
New reaction record

Compound notes

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