Basic information
- CAS
16347-92-5- Standard SMILES
CCn1cnc(=O)c2ccccc21- InChIKey
UNPYGFBXIWLZTF-UHFFFAOYSA-N- Molecular formula
- C10H10N2O
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.07931295
Names & identifiers
- Preferred name
- 4(1H)-Quinazolinone, 1-ethyl-
- IUPAC
- 1-ethylquinazolin-4-one
- English name
- 1-Ethylquinazolin-4(1H)-one
- Molecular formula
- C10H10N2O
- Molecular weight
- 174.2
Names & synonyms
16347-92-54(1H)-Quinazolinone, 1-ethyl-DTXSID70167598RefChem:1069077DTXCID60900891-ethylquinazolin-4(1H)-one1-ethyl-1,4-dihydroquinazolin-4-one1-Ethyl-4(1H)-quinazolinoneBRN 06096011-ethylquinazolin-4-oneSCHEMBL19707446SCHEMBL28165383
Database identifiers
- CAS
16347-92-5- PubChem CID
- 64054
- DTXSID
DTXSID70167598- Nikkaji
- J73.081E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 127 · 127-129 °C
- Boiling point
- 309.5 · 309.5±25.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 4.38 · 4.38±0.20(Predicted)
Chemistry & industry
Suppliers1 total
上海书亚医药科技有限公司400-685-9117 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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