Common name
8-hydroxy-1H-quinolin-2-one
IUPAC name
8-hydroxy-1H-quinolin-2-one
SMILES
O=c1[nH]c2c(cccc2O)cc1
Common name
8-hydroxy-1H-quinolin-2-one
IUPAC name
8-hydroxy-1H-quinolin-2-one
SMILES
O=c1[nH]c2c(cccc2O)cc1
INCHI
InChI=1S/C9H7NO2/c11-7-3-1-2-6-4-5-8(12)10-9(6)7/h1-5,11H,(H,10,12)
FORMULA
C9H7NO2
Common name
8-hydroxy-1H-quinolin-2-one
IUPAC name
8-hydroxy-1H-quinolin-2-one
Molecular weight
161.157
clogP
2.105
clogS
-2.265
Frequency
0.0007
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
53.09
Number of Rings
2
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01162 | Procaterol |
|
Sympathomimetics; Adrenergic beta-2 Receptor Agonists; Bronchodilator Agents; Respiratory System; Drugs for Obstructive Airway Diseases; Selective Beta-2-Adrenoreceptor Agonists; Adrenergics, Inhalants; Adrenergics for Systemic Use; Beta2 Agonists; | For the treatment of asthma and chronic obstructive pulmonary disease (COPD). |
| FDBD01358 | Indacaterol |
|
For the long term, once-daily-dosing maintenance of airflow obstruction in patients with chronic obstructive pulmonary disease (COPD), including chronic bronchitis and/or emphysema. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3bt9_ligand_1_1.mol2 | 3bt9 | 0.654135 | -7.59 | CN1c2c(C(=C[C@H]1C)N)cccc2 | 13 |
| 3btj_ligand_1_1.mol2 | 3btj | 0.654135 | -7.53 | c12c(N([C@H](C=C1N)C)C)cccc2 | 13 |
| 3art_ligand_1_1.mol2 | 3art | 0.654135 | -5.91 | CN1c2c(C(=C[C@@H]1C)N)cccc2 | 13 |
| 3bt9_ligand_2_10.mol2 | 3bt9 | 0.651852 | -7.84 | C(C)N1c2c(C(=C[C@H]1C)N)cccc2 | 14 |
| 3btj_ligand_2_10.mol2 | 3btj | 0.651852 | -7.78 | c12c(N([C@H](C=C1N)C)CC)cccc2 | 14 |
| 3art_ligand_2_10.mol2 | 3art | 0.651852 | -6.02 | C(C)N1c2c(C(=C[C@@H]1C)N)cccc2 | 14 |
102 ,
11
