Basic information
- Standard SMILES
Cc1ccccc1CN1CCC(COc2cccc3nc(N)nc(N)c23)CC1- InChIKey
DKAFHXHIBWMYTJ-UHFFFAOYSA-N- Molecular formula
- C22H27N5O
- Average molar mass
- 377.5 g/mol
Names & identifiers
- Preferred name
- 5-[1-(2-Methylbenzyl)piperidin-4-ylmethoxy]quinazoline-2,4-diamine
- IUPAC
- 5-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
Names & synonyms
CHEMBL250245SCHEMBL2165079DKAFHXHIBWMYTJ-UHFFFAOYSA-N5-[1-(2-methylbenzyl)piperidin-4-ylmethoxy]quinazoline-2,4-diamine
Database identifiers
- PubChem CID
- 25007432
- ChEMBL
CHEMBL250245
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 484
Related reactions
2 records
Compound notes
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