6-Chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-3,4-dihydroquinazolin-2(1h)-one
Basic information
- CAS
214287-62-4- Standard SMILES
O=C1Nc2ccc(Cl)cc2C(C#CC2CC2)(C(F)(F)F)N1- InChIKey
JJWJSIAJLBEMEN-UHFFFAOYSA-N- Molecular formula
- C14H10ClF3N2O
- Average molar mass
- 314.69 g/mol
- Monoisotopic mass
- 314.0433751
Names & identifiers
- Preferred name
- 6-Chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-3,4-dihydroquinazolin-2(1h)-one
- IUPAC
- 6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
Names & synonyms
214287-62-46-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-3,4-dihydroquinazolin-2(1h)-one2(1H)-Quinazolinone, 6-chloro-4-(cyclopropylethynyl)-3,4-dihydro-4-(trifluoromethyl)-Trifluromethylquinazolinone deriv. 146-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-oneBDBM2886CHEMBL301848SCHEMBL1152579(+/-)-6-chloro-4-cyclopropylethynyl-4-trifluoromethyl-3,4-dihydro-2(1H)-quinazolinone6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-2-one6-Chloro-4-(cyclopropylethynyl)-3,4-dihydro-4-(trifluoromethyl)-2(1H)-quinazolinone
Database identifiers
- CAS
214287-62-4- PubChem CID
- 477003
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 519
Related reactions
2 records
Compound notes
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