1-[5-Methoxy-8-(4-methyl-piperazin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-piperidin-1-yl-phenyl)-ethanone

HCID 58794054
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Basic information

Standard SMILES
COc1ccc(N2CCN(C)CC2)c2c1CCN(C(=O)Cc1ccc(N3CCCCC3)cc1)C2
InChIKey
VBAUVQJPJNIRIS-UHFFFAOYSA-N
Molecular formula
C28H38N4O2
Average molar mass
462.6 g/mol

Names & identifiers

Preferred name
1-[5-Methoxy-8-(4-methyl-piperazin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-piperidin-1-yl-phenyl)-ethanone
IUPAC
1-[5-methoxy-8-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-piperidin-1-ylphenyl)ethanone

Names & synonyms

SCHEMBL5454985VBAUVQJPJNIRIS-UHFFFAOYSA-N1-[5-Methoxy-8-(4-methyl-piperazin-1-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-piperidin-1-yl-phenyl)-ethanone

Database identifiers

PubChem CID
58794054

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
39.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
34

Related reactions

1 records
New reaction record

Linked notes

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