TL;DR: 2-Propenoic acid, 3-(1,2-dihydro-2-oxo-3-quinolinyl)- (CAS 101382-57-4) is a chemical compound with molecular formula C12H9NO3 and molecular weight 215.05824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-oxo-1H-quinolin-3-yl)prop-2-enoic acid
Also Known As: 3-(2-oxo-1H-quinolin-3-yl)prop-2-enoic Acid, 3-(2-oxo-1,2-dihydroquinolin-3-yl)prop-2-enoic acid, (2E)-3-(2-hydroxyquinolin-3-yl)acrylic acid, 2-Propenoic acid, 3-(1,2-dihydro-2-oxo-3-quinolinyl)-, (2E)-3-(2-OXO-1,2-DIHYDROQUINOLIN-3-YL)ACRYLIC ACID
| Molecular Formula | C12H9NO3 |
| Molecular Weight | 215.05824 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.05824 Da |
| Heavy Atoms | 16 |
| Complexity | 370.0 |
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)N2)C=CC(=O)O |
| InChIKey | OURWGONIRUVXGY-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-(1,2-dihydro-2-oxo-3-quinolinyl)-. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 3-(1,2-dihydro-2-oxo-3-quinolinyl)-. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-(1,2-dihydro-2-oxo-3-quinolinyl)- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Propenoic acid, 3-(1,2-dihydro-2-oxo-3-quinolinyl)- is 101382-57-4.
The molecular formula of 2-Propenoic acid, 3-(1,2-dihydro-2-oxo-3-quinolinyl)- is C12H9NO3.
The molecular weight of 2-Propenoic acid, 3-(1,2-dihydro-2-oxo-3-quinolinyl)- is 215.05824 g/mol.
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