4(3H)-Quinazolinone, 3-(4-chloro-o-tolyl)-2-fluoromethyl-
Basic information
- CAS
69123-67-7- Standard SMILES
Cc1cc(Cl)ccc1-n1c(CF)nc2ccccc2c1=O- InChIKey
FOIWLRLDLPGAKI-UHFFFAOYSA-N- Molecular formula
- C16H12ClFN2O
- Average molar mass
- 302.73 g/mol
- Monoisotopic mass
- 302.0622189
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(4-chloro-o-tolyl)-2-fluoromethyl-
- IUPAC
- 3-(4-chloro-2-methylphenyl)-2-(fluoromethyl)quinazolin-4-one
- English name
- 3-(4-Chloro-2-methylphenyl)-2-(fluoromethyl)quinazolin-4(3H)-one
- Molecular weight
- 0
Names & synonyms
69123-67-74(3H)-Quinazolinone, 3-(4-chloro-o-tolyl)-2-fluoromethyl-DTXSID50219185RefChem:1069142DTXCID701416763-(4-Chloro-2-methylphenyl)-2-(fluoromethyl)quinazolin-4(3H)-oneBRN 08223863-(4-Chloro-o-tolyl)-2-fluoromethyl-4(3H)-quinazolinoneCHEMBL3246259
Database identifiers
- CAS
69123-67-7- PubChem CID
- 63507
- DTXSID
DTXSID50219185- ChEMBL
CHEMBL3246259- Nikkaji
- J73.069F
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 442
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Related reactions
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Compound notes
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