Basic information
- Standard SMILES
COc1ccc2c(c1)CCn1c-2cc(Cl)nc1=O- InChIKey
NXMYLLIQRKHHHH-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2O2
- Average molar mass
- 262.69 g/mol
- Monoisotopic mass
- 262.0509053
Names & identifiers
- Preferred name
- 2-chloro-9-methoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
- IUPAC
- 2-chloro-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Names & synonyms
2-chloro-9-methoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one830358-49-12-chloro-9-methoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-oneSCHEMBL875194NXMYLLIQRKHHHH-UHFFFAOYSA-N2-chloro-9-methoxy-6,7-dihydro-pyrimido[6,1-a]isoquinolin-4-one
Database identifiers
- PubChem CID
- 57591093
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 433
Related reactions
51 records
Compound notes
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