Basic information
- CAS
54246-94-5- Standard SMILES
COc1ccc2c(c1)CCc1c(N)ncnc1-2- InChIKey
YKOUNKFBDFZMQF-UHFFFAOYSA-N- Molecular formula
- C13H13N3O
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.10586205
Names & identifiers
- Preferred name
- 8-Methoxy-5,6-dihydrobenzo[h]quinazolin-4-amine
- IUPAC
- 8-methoxy-5,6-dihydrobenzo[h]quinazolin-4-amine
Names & synonyms
54246-94-58-methoxy-5,6-dihydrobenzo[h]quinazolin-4-amineNSC305498DTXSID80316656NSC-305498
Database identifiers
- CAS
54246-94-5- PubChem CID
- 328063
- DTXSID
DTXSID80316656
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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