Common name
N-ethylquinoline-4-carboxamide
IUPAC name
N-ethylquinoline-4-carboxamide
SMILES
CCNC(=O)c1c2c(ncc1)cccc2
Common name
N-ethylquinoline-4-carboxamide
IUPAC name
N-ethylquinoline-4-carboxamide
SMILES
CCNC(=O)c1c2c(ncc1)cccc2
INCHI
InChI=1S/C12H12N2O/c1-2-13-12(15)10-7-8-14-11-6-4-3-5-9(10)11/h3-8H,2H2,1H3,(H,13,15)
FORMULA
C12H12N2O
Common name
N-ethylquinoline-4-carboxamide
IUPAC name
N-ethylquinoline-4-carboxamide
Molecular weight
200.236
clogP
2.327
clogS
-3.590
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
41.99
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 |
|---|---|---|---|---|---|
| 2x24_ligand_2_22.mol2 | 2x24 | 0.928571 | -6.95 | CNC(=O)c1ccnc2ccccc12 | 14 |
| 2yig_ligand_3_34.mol2 | 2yig | 0.847458 | -7.37 | c1(ccncc1)CNC(=O)c1ccccc1 | 16 |
| 2wf0_ligand_3_9.mol2 | 2wf0 | 0.816667 | -7.19 | CCNC(=O)c1cc2c(cc1)nccc2 | 15 |
| 2x24_ligand_1_5.mol2 | 2x24 | 0.803571 | -6.82 | NC(=O)c1ccnc2ccccc12 | 13 |
| 3h0q_ligand_2_3.mol2 | 3h0q | 0.8 | -8.15 | CC1CCN(CC1)C(=O)c1c2c(ncc1)cccc2 | 19 |
| 3h0q_ligand_1_2.mol2 | 3h0q | 0.8 | -7.84 | C1CCN(CC1)C(=O)c1c2c(ncc1)cccc2 | 18 |
| 2yke_ligand_1_2.mol2 | 2yke | 0.789474 | -6.99 | c1(cccc2c1cccn2)C(=O)N | 13 |
| 2oah_ligand_3_65.mol2 | 2oah | 0.785714 | -6.62 | C(=O)(NCC)c1ccncc1 | 11 |
| 1au2_ligand_3_217.mol2 | 1au2 | 0.785714 | -6.14 | C(NC(=O)c1ccncc1)C | 11 |
| 4cj4_ligand_3_14.mol2 | 4cj4 | 0.785714 | -5.56 | c1cnccc1C(=O)NCC | 11 |
195 ,
20
