Basic information
- CAS
33852-21-0- Standard SMILES
O=c1c2cc(Cl)ccc2nc2n1CC1CCCCN21- InChIKey
RJOQAWVTBGUWMO-UHFFFAOYSA-N- Molecular formula
- C14H14ClN3O
- Average molar mass
- 275.73 g/mol
- Monoisotopic mass
- 275.0825398
Names & identifiers
- Preferred name
- 13H-Pyrido(1',2':3,4)imidazo(2,1-b)quinazolin-13-one, 7,8,9,10,10a,11-hexahydro-2-chloro-
- IUPAC
- 5-chloro-1,9,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),4,6,9-tetraen-2-one
Names & synonyms
BRN 06220182-Chloro-7,8,9,10,10a,11-hexahydro-13H-pyrido(1',2':3,4)imidazo(2,1-b)quinazolin-13-oneDTXSID2095544213H-Pyrido(1',2':3,4)imidazo(2,1-b)quinazolin-13-one, 7,8,9,10,10a,11-hexahydro-2-chloro-2-chloro-7,8,9,10,10a,11-hexahydro-13h-pyrido[1',2':3,4]imidazo[2,1-b]quinazolin-13-oneRefChem:236545DTXCID30138343633852-21-0
Database identifiers
- CAS
33852-21-0- PubChem CID
- 214710
- DTXSID
DTXSID20955442
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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