Basic information
- Standard SMILES
CNC(=O)c1ccc2c(c1)CN(CC(=O)N1CCN(C3CCC3)CC1)CC2- InChIKey
GAVXRMZHVJTTOJ-UHFFFAOYSA-N- Molecular formula
- C21H30N4O2
- Average molar mass
- 370.5 g/mol
Names & identifiers
- Preferred name
- 2-[2-(4-Cyclobutyl-piperazin-1-yl)-2-oxo-ethyl]-1,2,3,4-tetrahydro-isoquinoline-7-carboxylic acid methylamide
- IUPAC
- 2-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3,4-dihydro-1H-isoquinoline-7-carboxamide
Names & synonyms
SCHEMBL1016369GAVXRMZHVJTTOJ-UHFFFAOYSA-N2-[2-(4-cyclobutyl-piperazin-1-yl)-2-oxo-ethyl]-1,2,3,4-tetrahydro-isoquinoline-7-carboxylic acid methylamide
Database identifiers
- PubChem CID
- 59463538
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 55.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 542
Related reactions
1 records
Compound notes
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