IUPAC name
5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1,2-dihydroquinolin-2-one
SMILES
CCC1=C(CC)C=C2CC(CC2=C1)NC[C@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1
Compound class
Therapeutic area
For the long term, once-daily-dosing maintenance of airflow obstruction in patients with chronic obstructive pulmonary disease (COPD), including chronic bronchitis and/or emphysema.
Common name
Indacaterol
IUPAC name
5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1,2-dihydroquinolin-2-one
SMILES
CCC1=C(CC)C=C2CC(CC2=C1)NC[C@H](O)C1=C2C=CC(=O)NC2=C(O)C=C1
INCHI
InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1
FORMULA
C24H28N2O3
Common name
Indacaterol
IUPAC name
5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1,2-dihydroquinolin-2-one
Molecular weight
392.491
clogP
5.341
clogS
-6.684
HBond Acceptor
3
HBond Donor
4
Total Polar Surface Area
85.35
Number of Rings
4
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF02990 | 8-hydroxy-1H-quinolin-2-one |
|
O=c1[nH]c2c(cccc2O)cc1 | 0.0007 |
| FDBF03032 | indan-2-amine |
|
C1(Cc2c(cccc2)C1)N | 0.0007 |
| FDBF03033 | N-methylindan-2-amine |
|
C1(Cc2c(cccc2)C1)NC | 0.0007 |
| FDBF03282 | (2R)-5-ethylindan-2-amine |
|
C1(Cc2c(ccc(c2)CC)C1)N | 0.0003 |
| FDBF03283 | (2S)-5-ethylindan-2-amine |
|
C1(Cc2c(cc(cc2)CC)C1)N | 0.0003 |
| FDBF03284 | 2-(indan-2-ylamino)ethanol |
|
C(NC1Cc2c(cccc2)C1)CO | 0.0003 |
