Common name
3,4-dihydro-1H-quinolin-2-one
IUPAC name
3,4-dihydro-1H-quinolin-2-one
SMILES
O=C1Nc2c(cccc2)CC1
Common name
3,4-dihydro-1H-quinolin-2-one
IUPAC name
3,4-dihydro-1H-quinolin-2-one
SMILES
O=C1Nc2c(cccc2)CC1
INCHI
InChI=1S/C9H9NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4H,5-6H2,(H,10,11)
FORMULA
C9H9NO
Common name
3,4-dihydro-1H-quinolin-2-one
IUPAC name
3,4-dihydro-1H-quinolin-2-one
Molecular weight
147.174
clogP
2.137
clogS
-2.541
Frequency
0.0010
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
2
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00391 | Carteolol |
|
Antihypertensive Agents; Sympatholytics; Anti-Arrhythmia Agents; Adrenergic beta-Antagonists; Ophthalmologicals; Sensory Organs; Cardiovascular System; Beta Blocking Agents; Antiglaucoma Preparations and Miotics; Beta Blocking Agents, Non-Selective; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of intraocular hypertension and chronic open-angle glaucoma. |
| FDBD01012 | Cilostazol |
|
Fibrinolytic Agents; Platelet Aggregation Inhibitors; Bronchodilator Agents; Phosphodiesterase 3 Inhibitors; Vasodilator Agents; Neuroprotective Agents; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the reduction of symptoms of intermittent claudication (pain in the legs that occurs with walking and disappears with rest). |
| FDBD01082 | Aripiprazole |
|
Antipsychotic Agents; Adrenergic alpha-1 Receptor Antagonists; Nervous System; Psycholeptics; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Antiemetics Antagonists; | For the treatment of schizophrenia and related psychotic disorders. |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ove_ligand_frag_1.mol2 | 1ove | 1 | -6.99 | N1C(=O)CCc2c1cccc2 | 11 |
| 4la7_ligand_frag_0.mol2 | 4la7 | 1 | -6.83 | c12c(cccc1)CCC(=O)N2 | 11 |
| 4n3r_ligand_frag_3.mol2 | 4n3r | 0.987013 | -8.34 | c1cc2c(cc1)C(CC(=O)N2)(C)C | 13 |
| 4yad_ligand_frag_1.mol2 | 4yad | 0.987013 | -7.03 | c1cc2CCC(=O)N(c2cc1)C | 12 |
| 4la7_ligand_1_2.mol2 | 4la7 | 0.987013 | -6.96 | c12c(cccc1)CCC(=O)N2C | 12 |
104 ,
11
