Basic information
- Standard SMILES
CCCCN1CCC(NC(=O)c2ccc(NCc3ccnc4ccccc34)cc2)CC1- InChIKey
OBCVAUXNUYPCRT-UHFFFAOYSA-N- Molecular formula
- C26H32N4O
- Average molar mass
- 416.6 g/mol
- Monoisotopic mass
- 416.25761166
Names & identifiers
- Preferred name
- N-(1-Butyl-4-piperidinyl)-4-[(4-quinolinylmethyl)amino]benzamide
- IUPAC
- N-(1-butylpiperidin-4-yl)-4-(quinolin-4-ylmethylamino)benzamide
Names & synonyms
SCHEMBL9582722OBCVAUXNUYPCRT-UHFFFAOYSA-NN-(1-Butyl-4-piperidinyl)-4-[(4-quinolinylmethyl)amino]benzamide
Database identifiers
- PubChem CID
- 19762437
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 540
Related reactions
2 records
Compound notes
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