Common name
6-chloro-1H-quinoxalin-2-one
IUPAC name
6-chloro-1H-quinoxalin-2-one
SMILES
O=c1[nH]c2c(nc1)cc(cc2)Cl
Common name
6-chloro-1H-quinoxalin-2-one
IUPAC name
6-chloro-1H-quinoxalin-2-one
SMILES
O=c1[nH]c2c(nc1)cc(cc2)Cl
INCHI
InChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-4H,(H,11,12)
FORMULA
C8H5ClN2O
Common name
6-chloro-1H-quinoxalin-2-one
IUPAC name
6-chloro-1H-quinoxalin-2-one
Molecular weight
180.591
clogP
2.716
clogS
-3.245
Frequency
0.0014
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
45.75
Number of Rings
2
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02651 | kuicaoxi |
|
Herbicide | Herbicide |
| FDBD02652 | propaquizafop |
|
Herbicide | Herbicide |
| FDBD02653 | quizalofop |
|
Herbicide | Herbicide |
| FDBD02654 | quizalofop-P |
|
Herbicide | Herbicide |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3jq8_ligand.mol2 | 3jq8 | 0.414634 | -6.90 | c12c(c(nc(n1)N)N)N=C(C(N2)(C)C)C | 16 |
| 3h2f_ligand.mol2 | 3h2f | 0.408284 | -6.78 | O=c1c2c([nH+]c(N)[nH]1)N(CC=N2)C | 14 |
| 2bkt_ligand_1_6.mol2 | 2bkt | 0.378788 | -6.74 | c1c(cccc1)N1CC=[NH]CC1=O | 13 |
| 2qx0_ligand.mol2 | 2qx0 | 0.378378 | -7.04 | N1=C(CNc2nc(N)[nH]c(=O)c12)CO | 15 |
| 1dfo_ligand.mol2 | 1dfo | 0.368852 | -9.02 | [nH]1c(N)nc(=O)c2N([C@H](C=Nc12)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C=O | 35 |
| 2bkt_ligand_2_45.mol2 | 2bkt | 0.359712 | -7.09 | c1c(cccc1)N1[C@@H](C=[NH]CC1=O)C | 14 |
| 2bkt_ligand_2_52.mol2 | 2bkt | 0.359712 | -6.68 | Oc1ccc(cc1)N1CC=[NH]CC1=O | 14 |
| 2bkt_ligand_3_204.mol2 | 2bkt | 0.354167 | -6.72 | O(c1ccc(cc1)N1CC=[NH]CC1=O)C | 15 |
| 2bqw_ligand_2_9.mol2 | 2bqw | 0.351852 | -7.34 | CC(=O)Nc1ccc(cc1)Cl | 11 |
| 3asx_ligand_3_2.mol2 | 3asx | 0.351852 | -6.67 | N(C(=O)C)(c1ccc(Cl)cc1)C | 12 |
103 ,
11
