TL;DR: 2(1H)-Quinoxalinone, 3-benzyl-1-(3-(dimethylamino)propyl)-6-methoxy- (CAS 117928-85-5) is a chemical compound with molecular formula C21H25N3O2 and molecular weight 351.19467 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzyl-1-[3-(dimethylamino)propyl]-6-methoxyquinoxalin-2-one
Also Known As: methyl hydrogen benzoylphosphonate, 2(1H)-Quinoxalinone, 3-benzyl-1-(3-(dimethylamino)propyl)-6-methoxy-, 3-Benzyl-1-(3-(dimethylamino)propyl)-6-methoxy-2(1H)-quinoxalinone, 2(1H)-Quinoxalinone, 1-(3-(dimethylamino)propyl)-6-methoxy-3-(phenylmethyl)-, 3-benzyl-1-[3-(dimethylamino)propyl]-6-methoxyquinoxalin-2-one
| Molecular Formula | C21H25N3O2 |
| Molecular Weight | 351.19467 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 45.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 351.19467 Da |
| Heavy Atoms | 26 |
| Complexity | 499.0 |
| SMILES | CN(C)CCCN1C2=C(C=C(C=C2)OC)N=C(C1=O)CC3=CC=CC=C3 |
| InChIKey | LJLGUXODIGEIOR-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(1H)-Quinoxalinone, 3-benzyl-1-(3-(dimethylamino)propyl)-6-methoxy-. With a topological polar surface area (TPSA) of 45.1 Ų, 2(1H)-Quinoxalinone, 3-benzyl-1-(3-(dimethylamino)propyl)-6-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(1H)-Quinoxalinone, 3-benzyl-1-(3-(dimethylamino)propyl)-6-methoxy- has 0 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 2(1H)-Quinoxalinone, 3-benzyl-1-(3-(dimethylamino)propyl)-6-methoxy- is 117928-85-5.
The molecular formula of 2(1H)-Quinoxalinone, 3-benzyl-1-(3-(dimethylamino)propyl)-6-methoxy- is C21H25N3O2.
The molecular weight of 2(1H)-Quinoxalinone, 3-benzyl-1-(3-(dimethylamino)propyl)-6-methoxy- is 351.19467 g/mol.
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