Basic information
- CAS
73832-08-3- Standard SMILES
Cc1ccccc1-n1c(C(F)(F)F)nc2ccc(N)cc2c1=O- InChIKey
GQJNMFMFTRRMLP-UHFFFAOYSA-N- Molecular formula
- C16H12F3N3O
- Average molar mass
- 319.28 g/mol
- Monoisotopic mass
- 319.0932465
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 6-amino-3-(o-tolyl)-2-(alpha,alpha,alpha-trifluoromethyl)-
- IUPAC
- 6-amino-3-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-one
Names & synonyms
73832-08-34(3H)-Quinazolinone, 6-amino-3-(o-tolyl)-2-(alpha,alpha,alpha-trifluoromethyl)-6-Amino-3-(o-tolyl)-2-(alpha,alpha,alpha-trifluoromethyl)-4(3H)-quinazolinoneDTXSID10224336RefChem:284248DTXCID101468276-Amino-3-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4(3H)-one
Database identifiers
- CAS
73832-08-3- PubChem CID
- 63276
- DTXSID
DTXSID10224336- Nikkaji
- J73.035A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- 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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