Basic information
- CAS
571149-87-6- Standard SMILES
Cc1ccc2nc(COc3ccc(Cl)cc3)cc(=O)n2c1- InChIKey
ZBSDBTTWODCHQQ-UHFFFAOYSA-N- Molecular formula
- C16H13ClN2O2
- Average molar mass
- 300.74 g/mol
- Monoisotopic mass
- 300.0665554
Names & identifiers
- Preferred name
- 2-[(4-Chlorophenoxy)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
- IUPAC
- 2-[(4-chlorophenoxy)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
Names & synonyms
2-[(4-chlorophenoxy)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-oneMLS001005749CHEMBL1577201DTXSID801324176HMS2672H06AKOS033961481CCG-276447571149-87-6SMR000384127AB00601674-02Z263423022-[(4-chlorophenoxy)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Database identifiers
- CAS
571149-87-6- PubChem CID
- 2363789
- DTXSID
DTXSID801324176- ChEMBL
CHEMBL1577201
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 555
Experimental & physicochemical properties
Solubility0.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…