TL;DR: (S)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)-N-(2-methoxyphenyl)propanamide (CAS 1173676-01-1) is a chemical compound with molecular formula C21H21N3O4 and molecular weight 379.1532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-(2-methoxyphenyl)propanamide
Also Known As: (S)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)-N-(2-methoxyphenyl)propanamide, 3-[(10aS)-1,3-dioxo-1,5,10,10a-tetrahydroimidazo[1,5-b]isoquinolin-2(3H)-yl]-N-(2-methoxyphenyl)propanamide, 3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-(2-methoxyphenyl)propanamide
| Molecular Formula | C21H21N3O4 |
| Molecular Weight | 379.1532 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 79.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.1532 Da |
| Heavy Atoms | 28 |
| Complexity | 625.0 |
| SMILES | COC1=CC=CC=C1NC(=O)CCN2C(=O)[C@@H]3CC4=CC=CC=C4CN3C2=O |
| InChIKey | AXRBPYLSKKNFTE-KRWDZBQOSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)-N-(2-methoxyphenyl)propanamide. The TPSA of 79.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)-N-(2-methoxyphenyl)propanamide. Following Lipinski's Rule of Five, (S)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)-N-(2-methoxyphenyl)propanamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (S)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)-N-(2-methoxyphenyl)propanamide is 1173676-01-1.
The molecular formula of (S)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)-N-(2-methoxyphenyl)propanamide is C21H21N3O4.
The molecular weight of (S)-3-(1,3-dioxo-10,10a-dihydroimidazo[1,5-b]isoquinolin-2(1H,3H,5H)-yl)-N-(2-methoxyphenyl)propanamide is 379.1532 g/mol.
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