1H,8H-Pyrido(1',2':3,4)pyrimidino(2,1-b)quinazolin-8-one, 2,3,4,4a,5,6-hexahydro-, hydrochloride
Basic information
- CAS
33047-32-4- Standard SMILES
Cl.O=c1c2ccccc2nc2n1CCC1CCCCN21- InChIKey
HVLAKBHUZVZWFM-UHFFFAOYSA-N- Molecular formula
- C15H18ClN3O
- Average molar mass
- 291.77 g/mol
- Monoisotopic mass
- 291.1138399
Names & identifiers
- Preferred name
- 1H,8H-Pyrido(1',2':3,4)pyrimidino(2,1-b)quinazolin-8-one, 2,3,4,4a,5,6-hexahydro-, hydrochloride
- IUPAC
- 2,10,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),12,14,16-tetraen-11-one;hydrochloride
Names & synonyms
33047-32-41H,8H-Pyrido(1',2':3,4)pyrimidino(2,1-b)quinazolin-8-one, 2,3,4,4a,5,6-hexahydro-, hydrochlorideRefChem:236865DTXSID109546662,3,4,4a,5,6-Hexahydro-1H,8H-pyrido[1',2':3,4]pyrimido[2,1-b]quinazolin-8-onato--hydrogen chlorido (1/1)2,3,4,4a,5,6-Hexahydro-1H,8H-pyrido[1',2':3,4]pyrimido[2,1-b]quinazolin-8-one--hydrogen chloride (1/1)
Database identifiers
- CAS
33047-32-4- PubChem CID
- 208798
- DTXSID
DTXSID10954666
Properties
Computed structural properties
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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