Common name
quinoline-4-carboxamide
IUPAC name
quinoline-4-carboxamide
SMILES
n1c2c(c(cc1)C(=O)N)cccc2
Common name
quinoline-4-carboxamide
IUPAC name
quinoline-4-carboxamide
SMILES
n1c2c(c(cc1)C(=O)N)cccc2
INCHI
InChI=1S/C10H8N2O/c11-10(13)8-5-6-12-9-4-2-1-3-7(8)9/h1-6H,(H2,11,13)
FORMULA
C10H8N2O
Common name
quinoline-4-carboxamide
IUPAC name
quinoline-4-carboxamide
Molecular weight
172.183
clogP
1.578
clogS
-2.377
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
55.98
Number of Rings
2
Rotatable Bond
1
| 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_1_5.mol2 | 2x24 | 1 | -6.82 | NC(=O)c1ccnc2ccccc12 | 13 |
| 2yke_ligand_1_2.mol2 | 2yke | 0.978261 | -6.99 | c1(cccc2c1cccn2)C(=O)N | 13 |
| 2x24_ligand_2_22.mol2 | 2x24 | 0.865385 | -6.95 | CNC(=O)c1ccnc2ccccc12 | 14 |
| 2wf0_ligand_1_0.mol2 | 2wf0 | 0.795918 | -6.69 | C(=O)(N)c1cc2c(cc1)nccc2 | 13 |
| 1xh9_ligand_1_0.mol2 | 1xh9 | 0.755556 | -6.79 | O=C(N)c1ccncc1 | 9 |
| 1svg_ligand_1_6.mol2 | 1svg | 0.755556 | -6.73 | c1(ccncc1)C(=O)N | 9 |
| 1xh6_ligand_1_6.mol2 | 1xh6 | 0.755556 | -6.69 | c1(ccncc1)C(=O)N | 9 |
| 1xh5_ligand_1_0.mol2 | 1xh5 | 0.755556 | -6.68 | O=C(N)c1ccncc1 | 9 |
| 2whp_ligand_1_0.mol2 | 2whp | 0.755556 | -6.68 | c1(cc[nH+]cc1)C(=O)N | 9 |
101 ,
11
