Basic information
- Standard SMILES
Cc1ncc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1- InChIKey
GIFAHWUNLKIYPK-UHFFFAOYSA-N- Molecular formula
- C26H20N4O
- Average molar mass
- 404.5 g/mol
Names & identifiers
- Preferred name
- 2-[4-(2-Methyl-5-pyridin-4-yl-pyrimidin-4-yl)-phenoxymethyl]-quinoline
- IUPAC
- 2-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)phenoxy]methyl]quinoline
Names & synonyms
pyrimidine, 15CHEMBL560855SCHEMBL3271266SCHEMBL30123182BDBM31598GIFAHWUNLKIYPK-UHFFFAOYSA-N2-[4-(2-Methyl-5-pyridin-4-yl-pyrimidin-4-yl)-phenoxymethyl]-quinoline
Database identifiers
- PubChem CID
- 11495114
- ChEMBL
CHEMBL560855
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 546
Related reactions
3 records
Linked notes
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