Basic information
- Standard SMILES
Nc1nc(N)c2c(OCC3CCN(Cc4cccc(F)c4F)CC3)cccc2n1- InChIKey
XXWSMCIXQOOIBX-UHFFFAOYSA-N- Molecular formula
- C21H23F2N5O
- Average molar mass
- 399.4 g/mol
Names & identifiers
- Preferred name
- 5-[1-(2,3-Difluorobenzyl)piperidin-4-ylmethoxy]quinazoline-2,4-diamine
- IUPAC
- 5-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
Names & synonyms
CHEMBL400348SCHEMBL2165219XXWSMCIXQOOIBX-UHFFFAOYSA-N5-[1-(2,3-difluorobenzyl)piperidin-4-ylmethoxy]quinazoline-2,4-diamine
Database identifiers
- PubChem CID
- 25007786
- ChEMBL
CHEMBL400348
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
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