Basic information
- Standard SMILES
Nc1nc(N)c2c(OCC3CCN(Cc4ccc(F)c(F)c4)CC3)cccc2n1- InChIKey
WDEBLYJCRJWXNX-UHFFFAOYSA-N- Molecular formula
- C21H23F2N5O
- Average molar mass
- 399.4 g/mol
Names & identifiers
- Preferred name
- 5-[1-(3,4-Difluorobenzyl)piperidin-4-ylmethoxy]quinazoline-2,4-diamine
- IUPAC
- 5-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
Names & synonyms
CHEMBL251260SCHEMBL2164432WDEBLYJCRJWXNX-UHFFFAOYSA-N5-[1-(3,4-difluorobenzyl)piperidin-4-ylmethoxy]quinazoline-2,4-diamine
Database identifiers
- PubChem CID
- 25007785
- ChEMBL
CHEMBL251260
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 521
Related reactions
2 records
Compound notes
Loading…