3-Butyl-4(3H)-quinazolinone
Basic information
- CAS
16417-02-0- Standard SMILES
CCCCn1cnc2ccccc2c1=O- InChIKey
ZZSCVVWJRCJHPA-UHFFFAOYSA-N- Molecular formula
- C12H14N2O
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.11061307
Names & identifiers
- Preferred name
- 3-Butyl-4(3H)-quinazolinone
- IUPAC
- 3-butylquinazolin-4-one
- English name
- 3-butyl-4(3H)-Quinazolinone
- Molecular formula
- C12H14N2O
- Molecular weight
- 202.25
Names & synonyms
3-Butyl-4(3H)-quinazolinone4(3H)-Quinazolinone, 3-butyl-16417-02-0DTXSID70167715RefChem:1067506DTXCID50902064-Quinazolone, 3-butyl3-Butylquinazolin-4(3H)-oneBRN 01477185-24-03-00027 (Beilstein Handbook Reference)SCHEMBL28069319ZZSCVVWJRCJHPA-UHFFFAOYSA-N
Show more names
DB-064524
Database identifiers
- CAS
16417-02-0- PubChem CID
- 63398
- DTXSID
DTXSID70167715- Nikkaji
- J73.052A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Melting point
- 73 °C · 73 °C
- Boiling point
- 336 · 336.0±25.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 2.31 · 2.31±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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