5,6-Dihydrobenzo[h]quinazolin-4-amine
Basic information
- CAS
54246-93-4- Standard SMILES
Nc1ncnc2c1CCc1ccccc1-2- InChIKey
LDWGGPUPRZZUMO-UHFFFAOYSA-N- Molecular formula
- C12H11N3
- Average molar mass
- 197.24 g/mol
- Monoisotopic mass
- 197.09529736
Names & identifiers
- Preferred name
- 5,6-Dihydrobenzo[h]quinazolin-4-amine
- IUPAC
- 5,6-dihydrobenzo[h]quinazolin-4-amine
Names & synonyms
5,6-dihydrobenzo[h]quinazolin-4-amine54246-93-4CHEMBL4798361NSC305497SCHEMBL10339508DTXSID20316655LDWGGPUPRZZUMO-UHFFFAOYSA-NBDBM50548250AKOS030261745NSC-305497
Database identifiers
- CAS
54246-93-4- PubChem CID
- 328062
- DTXSID
DTXSID20316655- ChEMBL
CHEMBL4798361
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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