TL;DR: methyl 3,3-dimethyl-1,13-dioxo-2,3,4,6,7,11b,12,13-octahydro-1H-pyrrolo[2',1':3,4]pyrazino[1,2-a]quinoline-2-carboxylate (CAS 151427-93-9) is a chemical compound with molecular formula C19H22N2O4 and molecular weight 342.15796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4,4-dimethyl-6,8-dioxo-1,15-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),11,13-triene-5-carboxylate
Also Known As: methyl 3,3-dimethyl-1,13-dioxo-2,3,4,6,7,11b,12,13-octahydro-1H-pyrrolo[2',1':3,4]pyrazino[1,2-a]quinoline-2-carboxylate
| Molecular Formula | C19H22N2O4 |
| Molecular Weight | 342.15796 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 68.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.15796 Da |
| Heavy Atoms | 25 |
| Complexity | 681.0 |
| SMILES | CC1(CC2=C(C(=O)CC3N2CCN4C3=CC=C4)C(=O)C1C(=O)OC)C |
| InChIKey | BMFKTDSBSRSAPV-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3,3-dimethyl-1,13-dioxo-2,3,4,6,7,11b,12,13-octahydro-1H-pyrrolo[2',1':3,4]pyrazino[1,2-a]quinoline-2-carboxylate. The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3,3-dimethyl-1,13-dioxo-2,3,4,6,7,11b,12,13-octahydro-1H-pyrrolo[2',1':3,4]pyrazino[1,2-a]quinoline-2-carboxylate. Following Lipinski's Rule of Five, methyl 3,3-dimethyl-1,13-dioxo-2,3,4,6,7,11b,12,13-octahydro-1H-pyrrolo[2',1':3,4]pyrazino[1,2-a]quinoline-2-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of methyl 3,3-dimethyl-1,13-dioxo-2,3,4,6,7,11b,12,13-octahydro-1H-pyrrolo[2',1':3,4]pyrazino[1,2-a]quinoline-2-carboxylate is 151427-93-9.
The molecular formula of methyl 3,3-dimethyl-1,13-dioxo-2,3,4,6,7,11b,12,13-octahydro-1H-pyrrolo[2',1':3,4]pyrazino[1,2-a]quinoline-2-carboxylate is C19H22N2O4.
The molecular weight of methyl 3,3-dimethyl-1,13-dioxo-2,3,4,6,7,11b,12,13-octahydro-1H-pyrrolo[2',1':3,4]pyrazino[1,2-a]quinoline-2-carboxylate is 342.15796 g/mol.
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