4-But-1-ynyl-6-chloro-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
Basic information
- CAS
214287-65-7- Standard SMILES
CCC#CC1(C(F)(F)F)NC(=O)Nc2ccc(Cl)cc21- InChIKey
GETMRWCDSZZQQD-UHFFFAOYSA-N- Molecular formula
- C13H10ClF3N2O
- Average molar mass
- 302.68 g/mol
- Monoisotopic mass
- 302.0433751
Names & identifiers
- Preferred name
- 4-But-1-ynyl-6-chloro-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
- IUPAC
- 4-but-1-ynyl-6-chloro-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
Names & synonyms
214287-65-74-(But-1-yn-1-yl)-6-chloro-4-(trifluoromethyl)-3,4-dihydroquinazolin-2(1H)-one2(1H)-Quinazolinone, 4-(1-butynyl)-6-chloro-3,4-dihydro-4-(trifluoromethyl)-4-but-1-ynyl-6-chloro-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-oneTrifluromethylquinazolinone deriv. 26BDBM2892DTXSID109439994-(1-Butyn-1-yl)-6-chloro-3,4-dihydro-4-(trifluoromethyl)-2(1H)-quinazolinone4-(but-1-yn-1-yl)-6-chloro-4-(trifluoromethyl)-1,2,3,4-tetrahydroquinazolin-2-one4-(But-1-yn-1-yl)-6-chloro-4-(trifluoromethyl)-3,4-dihydroquinazolin-2-ol
Database identifiers
- CAS
214287-65-7- PubChem CID
- 477004
- DTXSID
DTXSID10943999
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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