Basic information
- CAS
49579-00-2- Standard SMILES
Cc1nc2ccc(F)cc2c(=O)n1-c1ccccc1- InChIKey
RVFMPCRWAKDPTL-UHFFFAOYSA-N- Molecular formula
- C15H11FN2O
- Average molar mass
- 254.26 g/mol
- Monoisotopic mass
- 254.08554114
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 6-fluoro-2-methyl-3-phenyl-
- IUPAC
- 6-fluoro-2-methyl-3-phenylquinazolin-4-one
- English name
- 4(3H)-Quinazolinone, 6-fluoro-2-methyl-3-phenyl-
- Molecular formula
- C15H11FN2O
- Molecular weight
- 254.26
Names & synonyms
49579-00-24(3H)-Quinazolinone, 6-fluoro-2-methyl-3-phenyl-BRN 08858726-Fluoro-2-methyl-3-phenyl-4(3H)-quinazolinoneDTXSID501978585-24-03-00174 (Beilstein Handbook Reference)RefChem:284293DTXCID101203496-fluoro-2-methyl-3-phenylquinazolin-4(3H)-one6-fluoro-2-methyl-3-phenyl-3,4-dihydroquinazolin-4-one6-fluoro-2-methyl-3-phenylquinazolin-4-onestarbld0009798
Show more names
6-fluoro-2-methyl-3-phenyl-3H-quinazolin-4-one
SCHEMBL22238067MFCD01686022BS-514356-fluoro-2-methyl-3-phenyl-quinazolin-4-oneF76898
Database identifiers
- CAS
49579-00-2- PubChem CID
- 63240
- DTXSID
DTXSID50197858
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Boiling point
- 406.8 · 406.8±47.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 2.4 · 2.40±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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