TL;DR: 2(1H)-Quinoxalinone, 6-acetyl-3-benzyl-1-(3-(dimethylamino)propyl)- (CAS 117928-84-4) is a chemical compound with molecular formula C22H25N3O2 and molecular weight 363.19467 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-acetyl-3-benzyl-1-[3-(dimethylamino)propyl]quinoxalin-2-one
Also Known As: methyl hydrogen benzoylphosphonate, 2(1H)-Quinoxalinone, 6-acetyl-3-benzyl-1-(3-(dimethylamino)propyl)-, 6-Acetyl-3-benzyl-1-(3-(dimethylamino)propyl)-2(1H)-quinoxalinone, 2(1H)-Quinoxalinone, 6-acetyl-1-(3-(dimethylamino)propyl)-3-(phenylmethyl)-, 6-acetyl-3-benzyl-1-[3-(dimethylamino)propyl]quinoxalin-2-one
| Molecular Formula | C22H25N3O2 |
| Molecular Weight | 363.19467 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 363.19467 Da |
| Heavy Atoms | 27 |
| Complexity | 566.0 |
| SMILES | CC(=O)C1=CC2=C(C=C1)N(C(=O)C(=N2)CC3=CC=CC=C3)CCCN(C)C |
| InChIKey | TTXLPTXYOBBRQS-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(1H)-Quinoxalinone, 6-acetyl-3-benzyl-1-(3-(dimethylamino)propyl)-. With a topological polar surface area (TPSA) of 53.0 Ų, 2(1H)-Quinoxalinone, 6-acetyl-3-benzyl-1-(3-(dimethylamino)propyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(1H)-Quinoxalinone, 6-acetyl-3-benzyl-1-(3-(dimethylamino)propyl)- 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, 6-acetyl-3-benzyl-1-(3-(dimethylamino)propyl)- is 117928-84-4.
The molecular formula of 2(1H)-Quinoxalinone, 6-acetyl-3-benzyl-1-(3-(dimethylamino)propyl)- is C22H25N3O2.
The molecular weight of 2(1H)-Quinoxalinone, 6-acetyl-3-benzyl-1-(3-(dimethylamino)propyl)- is 363.19467 g/mol.
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