Basic information
- CAS
63362-26-5- Standard SMILES
Cc1c2ccccc2nc(CNC2CCCCC2)[n+]1[O-]- InChIKey
LKPSMMDFRQVBFN-UHFFFAOYSA-N- Molecular formula
- C16H21N3O
- Average molar mass
- 271.36 g/mol
- Monoisotopic mass
- 271.1684623
Names & identifiers
- Preferred name
- N-[(4-Methyl-3-oxo-3lambda~5~-quinazolin-2-yl)methyl]cyclohexanamine
- IUPAC
- N-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methyl]cyclohexanamine
Names & synonyms
63362-26-5DTXSID40495032NSC64066N-[(4-Methyl-3-oxo-3lambda~5~-quinazolin-2-yl)methyl]cyclohexanamineNSC-64066
Database identifiers
- CAS
63362-26-5- PubChem CID
- 12374823
- DTXSID
DTXSID40495032
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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