TL;DR: Pyrido(3,4-b)pyrazin-2(1H)-one, 3-benzyl-1-(2-(dimethylamino)ethyl)- (CAS 117928-88-8) is a chemical compound with molecular formula C18H20N4O and molecular weight 308.1637 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzyl-1-[2-(dimethylamino)ethyl]pyrido[3,4-b]pyrazin-2-one
Also Known As: Pyrido(3,4-b)pyrazin-2(1H)-one, 3-benzyl-1-(2-(dimethylamino)ethyl)-, 3-Benzil-1-dimetilamminoetil-6-azachinossalin-2(1H)-one, 3-Benzil-1-dimetilamminoetil-6-azachinossalin-2(1H)-one [Italian], 3-Benzyl-1-(2-(dimethylamino)ethyl)-pyrido(3,4-b)pyrazin-2(1H)-one, Pyrido(3,4-b)pyrazin-2(1H)-one, 1-(2-(dimethylamino)ethyl)-3-(phenylmethyl)-
| Molecular Formula | C18H20N4O |
| Molecular Weight | 308.1637 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 48.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.1637 Da |
| Heavy Atoms | 23 |
| Complexity | 442.0 |
| SMILES | CN(C)CCN1C2=C(C=NC=C2)N=C(C1=O)CC3=CC=CC=C3 |
| InChIKey | HCXLKGAKZOEOHD-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrido(3,4-b)pyrazin-2(1H)-one, 3-benzyl-1-(2-(dimethylamino)ethyl)-. With a topological polar surface area (TPSA) of 48.8 Ų, Pyrido(3,4-b)pyrazin-2(1H)-one, 3-benzyl-1-(2-(dimethylamino)ethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrido(3,4-b)pyrazin-2(1H)-one, 3-benzyl-1-(2-(dimethylamino)ethyl)- 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 Pyrido(3,4-b)pyrazin-2(1H)-one, 3-benzyl-1-(2-(dimethylamino)ethyl)- is 117928-88-8.
The molecular formula of Pyrido(3,4-b)pyrazin-2(1H)-one, 3-benzyl-1-(2-(dimethylamino)ethyl)- is C18H20N4O.
The molecular weight of Pyrido(3,4-b)pyrazin-2(1H)-one, 3-benzyl-1-(2-(dimethylamino)ethyl)- is 308.1637 g/mol.
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