IUPAC name
1-acetyl-3,4-dihydro-3-[(3-pyridinylmethyl)amino]-6-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-2(1H)-quinazolinone
SMILES
CC(=O)N1c2ccc(cc2CN(C1=O)NCc1cccnc1)C(C(F)(F)F)(C(F)(F)F)F
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
pyrifluquinazon
IUPAC name
1-acetyl-3,4-dihydro-3-[(3-pyridinylmethyl)amino]-6-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-2(1H)-quinazolinone
SMILES
CC(=O)N1c2ccc(cc2CN(C1=O)NCc1cccnc1)C(C(F)(F)F)(C(F)(F)F)F
INCHI
InChI=1S/C19H15F7N4O2/c1-11(31)30-15-5-4-14(17(20,18(21,22)23)19(24,25)26)7-13(15)10-29(16(30)32)28-9-12-3-2-6-27-8-12/h2-8,28H,9-10H2,1H3
FORMULA
C19H15F7N4O2
Common name
pyrifluquinazon
IUPAC name
1-acetyl-3,4-dihydro-3-[(3-pyridinylmethyl)amino]-6-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-2(1H)-quinazolinone
Molecular weight
464.337
clogP
3.367
clogS
-5.349
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
65.54
Number of Rings
3
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00014 | pyridine |
|
c1cccnc1 | 0.0333 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF00422 | 3-methylpyridine |
|
n1cc(ccc1)C | 0.0024 |
| FDBF02697 | 1,1,1,2-tetrafluoroethane |
|
FC(F)(F)CF | 0.0024 |
| FDBF05411 | 1-acetyl-6-[(1R)-1,2,2,2-tetrafluoroethyl]quinazolin-2-one |
|
[C@H](F)(C(F)(F)F)c1ccc2n(C(=O)C)c(=O)ncc2c1 | 0.0003 |
| FDBF05412 | 1-acetyl-6-[(1S)-1,2,2,2-tetrafluoroethyl]quinazolin-2-one |
|
[C@@H](F)(C(F)(F)F)c1ccc2n(C(=O)C)c(=O)ncc2c1 | 0.0003 |
| FDBF05413 | 1-acetyl-3-(methylamino)-4H-quinazolin-2-one |
|
CC(=O)N1C(=O)N(Cc2c1cccc2)NC | 0.0003 |
| FDBF05414 | pyridin-3-ylmethanamine |
|
NCc1cnccc1 | 0.0003 |
| FDBF05415 | 1-acetyl-6-(fluoromethyl)-3-(methylamino)-4H-quinazolin-2-one |
|
C(F)c1ccc2N(C(=O)C)C(=O)N(Cc2c1)NC | 0.0003 |
| FDBF05416 | 1-acetylquinazolin-2-one |
|
CC(=O)n1c(=O)ncc2c1cccc2 | 0.0003 |
11 ,
2
