5-tert-Butylquinazolin-4(1H)-one
Basic information
- CAS
933823-90-6- Standard SMILES
CC(C)(C)c1cccc2nc[nH]c(=O)c12- InChIKey
WLCZNFLHNJGKJD-UHFFFAOYSA-N- Molecular formula
- C12H14N2O
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.11061307
Names & identifiers
- Preferred name
- 5-tert-Butylquinazolin-4(1H)-one
- IUPAC
- 5-tert-butyl-3H-quinazolin-4-one
Names & synonyms
933823-90-6SCHEMBL25702680DTXSID4012732085-tert-Butylquinazolin-4(1H)-one5-(1,1-Dimethylethyl)-4(3H)-quinazolinone
Database identifiers
- CAS
933823-90-6- PubChem CID
- 136998530
- DTXSID
DTXSID401273208
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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