4(3H)-Quinazolinone, 7-fluoro-2-methyl-3-(3-(trifluoromethyl)phenyl)-
Basic information
- CAS
49579-37-5- Standard SMILES
Cc1nc2cc(F)ccc2c(=O)n1-c1cccc(C(F)(F)F)c1- InChIKey
XPQAEWDYQFVIEO-UHFFFAOYSA-N- Molecular formula
- C16H10F4N2O
- Average molar mass
- 322.26 g/mol
- Monoisotopic mass
- 322.0729256
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 7-fluoro-2-methyl-3-(3-(trifluoromethyl)phenyl)-
- IUPAC
- 7-fluoro-2-methyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
Names & synonyms
4(3H)-Quinazolinone, 7-fluoro-2-methyl-3-(3-(trifluoromethyl)phenyl)-49579-37-5DTXSID50197893RefChem:1069186DTXCID10120384BRN 08374507-Fluoro-2-methyl-3-(3-(trifluoromethyl)phenyl)-4(3H)-quinazolinone7-Fluoro-2-methyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one
Database identifiers
- CAS
49579-37-5- PubChem CID
- 63477
- DTXSID
DTXSID50197893
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 505
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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