TL;DR: 3-{[(Furan-2-ylmethyl)-amino]-methyl}-7,8-dimethyl-1H-quinolin-2-one (CAS 142818-03-9) is a chemical compound with molecular formula C17H18N2O2 and molecular weight 282.13684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(furan-2-ylmethylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one
Also Known As: 3-{[(Furan-2-ylmethyl)-amino]-methyl}-7,8-dimethyl-1H-quinolin-2-one, BAS 02750854, 3-(((Furan-2-ylmethyl)amino)methyl)-7,8-dimethylquinolin-2(1H)-one, 3-[(furan-2-ylmethylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one, 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
| Molecular Formula | C17H18N2O2 |
| Molecular Weight | 282.13684 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 54.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.13684 Da |
| Heavy Atoms | 21 |
| Complexity | 421.0 |
| SMILES | CC1=C(C2=C(C=C1)C=C(C(=O)N2)CNCC3=CC=CO3)C |
| InChIKey | HOOLMZZMZATFNM-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(Furan-2-ylmethyl)-amino]-methyl}-7,8-dimethyl-1H-quinolin-2-one. With a topological polar surface area (TPSA) of 54.3 Ų, 3-{[(Furan-2-ylmethyl)-amino]-methyl}-7,8-dimethyl-1H-quinolin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[(Furan-2-ylmethyl)-amino]-methyl}-7,8-dimethyl-1H-quinolin-2-one 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 3-{[(Furan-2-ylmethyl)-amino]-methyl}-7,8-dimethyl-1H-quinolin-2-one is 142818-03-9.
The molecular formula of 3-{[(Furan-2-ylmethyl)-amino]-methyl}-7,8-dimethyl-1H-quinolin-2-one is C17H18N2O2.
The molecular weight of 3-{[(Furan-2-ylmethyl)-amino]-methyl}-7,8-dimethyl-1H-quinolin-2-one is 282.13684 g/mol.
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