Common name
6-iodo-3-methylquinazolin-4-one
IUPAC name
6-iodo-3-methylquinazolin-4-one
SMILES
CN1C=Nc2c(C1=O)cc(cc2)I
Common name
6-iodo-3-methylquinazolin-4-one
IUPAC name
6-iodo-3-methylquinazolin-4-one
SMILES
CN1C=Nc2c(C1=O)cc(cc2)I
INCHI
InChI=1S/C9H7IN2O/c1-12-5-11-8-3-2-6(10)4-7(8)9(12)13/h2-5H,1H3/p+1
FORMULA
C9H7IN2O
Common name
6-iodo-3-methylquinazolin-4-one
IUPAC name
6-iodo-3-methylquinazolin-4-one
Molecular weight
286.069
clogP
2.430
clogS
-3.137
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
34.89
Number of Rings
2
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03263 | proquinazid |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4pp7_ligand_frag_5.mol2 | 4pp7 | 0.830769 | -6.98 | c1ccc2c(c1)c(=O)n(cn2)C | 12 |
| 4jju_ligand_1_1.mol2 | 4jju | 0.791045 | -6.58 | C[n+]1c[nH]c(=O)c2c1cccc2 | 12 |
| 2ozr_ligand_frag_0.mol2 | 2ozr | 0.739726 | -7.02 | n1(c2c(c(=O)[nH]c1=O)cccc2)C | 13 |
| 2ozr_ligand_1_1.mol2 | 2ozr | 0.72 | -7.18 | Cn1c(=O)c2c(n(c1=O)C)cccc2 | 14 |
| 4pp7_ligand_1_1.mol2 | 4pp7 | 0.72 | -7.03 | c1(ccc2c(c1)c(=O)n(cn2)C)NC | 14 |
| 1a8t_ligand_1_3.mol2 | 1a8t | 0.72 | -5.99 | Cn1cnc2ccc(cc2c1=O)O | 13 |
| 4jju_ligand_2_4.mol2 | 4jju | 0.688312 | -6.51 | Oc1cc2c([n+](C)c[nH]c2=O)cc1 | 13 |
| 1uk1_ligand_1_0.mol2 | 1uk1 | 0.654762 | -7.36 | c1cc2c(c(c1)F)c(=O)[nH]c(=O)n2C | 14 |
| 4msg_ligand_frag_0.mol2 | 4msg | 0.646154 | -7.55 | [nH]1c(=O)c2ccccc2nc1 | 11 |
101 ,
11
