IUPAC name
5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydroquinolin-2-one
SMILES
CC(C)(C)NCC(O)COC1=CC=CC2=C1CCC(=O)N2
Compound class
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);
Therapeutic area
For the treatment of intraocular hypertension and chronic open-angle glaucoma.
Common name
Carteolol
IUPAC name
5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydroquinolin-2-one
SMILES
CC(C)(C)NCC(O)COC1=CC=CC2=C1CCC(=O)N2
INCHI
InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)
FORMULA
C16H24N2O3
Common name
Carteolol
IUPAC name
5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydroquinolin-2-one
Molecular weight
292.373
clogP
2.376
clogS
-3.992
HBond Acceptor
3
HBond Donor
3
Total Polar
Surface Area
70.59
Number of Rings
2
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00065 | ethylene glycol |
|
C(O)CO | 0.0265 |
| FDBF00241 | 2-methylpropan-2-amine |
|
CC(N)(C)C | 0.0076 |
| FDBF01173 | 5-hydroxy-3,4-dihydro-1H-quinolin-2-one |
|
Oc1c2c(ccc1)NC(=O)CC2 | 0.0003 |
| FDBF01174 | 5-methoxy-3,4-dihydro-1H-quinolin-2-one |
|
COc1c2c(ccc1)NC(=O)CC2 | 0.0003 |
| FDBF01177 | (2R)-1-(tert-butylamino)propan-2-ol |
|
C(C(O)C)NC(C)(C)C | 0.0017 |
| FDBF01179 | 3,4-dihydro-1H-quinolin-2-one |
|
O=C1Nc2c(cccc2)CC1 | 0.0010 |
