Basic information
- Standard SMILES
O=C1COc2ccc(CNC3CCN(CCn4c(=O)ccc5cccnc54)CC3)cc2N1- InChIKey
KOHHHACFKBGFMR-UHFFFAOYSA-N- Molecular formula
- C24H27N5O3
- Average molar mass
- 433.5 g/mol
Names & identifiers
- Preferred name
- 6-[[[1-[2-(2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzoxazin-3-one
- IUPAC
- 6-[[[1-[2-(2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzoxazin-3-one
Names & synonyms
SCHEMBL10314074
Database identifiers
- PubChem CID
- 68105252
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 708
Related reactions
1 records
Compound notes
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