Basic information
- CAS
83610-13-3- Standard SMILES
O=c1c2ccccc2ncn1C12CC3CC(CC(C3)C1)C2- InChIKey
KKWYFIDOPZNGMY-UHFFFAOYSA-N- Molecular formula
- C18H20N2O
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.15756327
Names & identifiers
- Preferred name
- 3-(1-Adamantyl)quinazolin-4-one
- IUPAC
- 3-(1-adamantyl)quinazolin-4-one
Names & synonyms
NSC36607183610-13-3DTXSID70320888NSC-3660713-(Adamantan-1-yl)quinazolin-4(3H)-oneDS-0050664(3H)-quinazolinone,3-tricyclo[3.3.1.13,7]dec-1-yl-
Database identifiers
- CAS
83610-13-3- PubChem CID
- 339409
- DTXSID
DTXSID70320888
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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