Common name
2-ethoxyquinoline
IUPAC name
2-ethoxyquinoline
SMILES
O(c1nc2c(cc1)cccc2)CC
Common name
2-ethoxyquinoline
IUPAC name
2-ethoxyquinoline
SMILES
O(c1nc2c(cc1)cccc2)CC
INCHI
InChI=1S/C11H11NO/c1-2-13-11-8-7-9-5-3-4-6-10(9)12-11/h3-8H,2H2,1H3
FORMULA
C11H11NO
Common name
2-ethoxyquinoline
IUPAC name
2-ethoxyquinoline
Molecular weight
173.211
clogP
2.783
clogS
-3.320
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
22.12
Number of Rings
2
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00396 | Cinchocaine |
|
Anesthetics, Local; Anesthetics; Ophthalmologicals; Sensory Organs; Dermatologicals; Nervous System; Cardiovascular System; Local Anesthetics; Agents for Treatment of Hemorrhoids and Anal Fissures for Topical Use; Vasoprotectives; Anesthetics for Topical Use; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Amides; Analgesics and Anesthetics; Otologicals; | For production of local or regional anesthesia by infiltration techniques such as percutaneous injection and intravenous regional anesthesia by peripheral nerve block techniques such as brachial plexus and intercostal and by central neural techniques such as lumbar and caudal epidural blocks. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2chm_ligand_3_69.mol2 | 2chm | 0.862745 | -6.58 | CCOc1ccccn1 | 9 |
| 1d3p_ligand_3_81.mol2 | 1d3p | 0.862745 | -5.60 | C(C)Oc1ncccc1 | 9 |
| 1o6h_ligand_3_161.mol2 | 1o6h | 0.764706 | -7.23 | c1cc2c(ccc(c2)OCC)cn1 | 13 |
| 4n4s_ligand_2_7.mol2 | 4n4s | 0.737705 | -7.35 | COc1nc2c(cccc2C)cc1 | 13 |
| 3hc8_ligand_1_5.mol2 | 3hc8 | 0.705882 | -6.42 | c1ccc(nc1)OC | 8 |
107 ,
11
