TL;DR: 10-methyl-2-(2-methylphenyl)-3-(1-phenylethyl)pyrimido[4,5-b]quinoline-4,5-dione (CAS 883962-56-9) is a chemical compound with molecular formula C27H23N3O2 and molecular weight 421.17902 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-methyl-2-(2-methylphenyl)-3-(1-phenylethyl)pyrimido[4,5-b]quinoline-4,5-dione
Also Known As: 10-methyl-2-(2-methylphenyl)-3-(1-phenylethyl)pyrimido[4,5-b]quinoline-4,5-dione, 10-methyl-2-(2-methylphenyl)-3-(1-phenylethyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione, 10-methyl-3-(1-phenylethyl)-2-(o-tolyl)pyrimido[4,5-b]quinoline-4,5(3H,10H)-dione
| Molecular Formula | C27H23N3O2 |
| Molecular Weight | 421.17902 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.17902 Da |
| Heavy Atoms | 32 |
| Complexity | 825.0 |
| SMILES | CC1=CC=CC=C1C2=NC3=C(C(=O)C4=CC=CC=C4N3C)C(=O)N2C(C)C5=CC=CC=C5 |
| InChIKey | USQDVZCVNXWBHM-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that 10-methyl-2-(2-methylphenyl)-3-(1-phenylethyl)pyrimido[4,5-b]quinoline-4,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, 10-methyl-2-(2-methylphenyl)-3-(1-phenylethyl)pyrimido[4,5-b]quinoline-4,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-methyl-2-(2-methylphenyl)-3-(1-phenylethyl)pyrimido[4,5-b]quinoline-4,5-dione 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 10-methyl-2-(2-methylphenyl)-3-(1-phenylethyl)pyrimido[4,5-b]quinoline-4,5-dione is 883962-56-9.
The molecular formula of 10-methyl-2-(2-methylphenyl)-3-(1-phenylethyl)pyrimido[4,5-b]quinoline-4,5-dione is C27H23N3O2.
The molecular weight of 10-methyl-2-(2-methylphenyl)-3-(1-phenylethyl)pyrimido[4,5-b]quinoline-4,5-dione is 421.17902 g/mol.
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