TL;DR: 2-amino-1-(3,4-dimethoxybenzyl)-N-(2-phenylethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide (CAS 842957-68-0) is a chemical compound with molecular formula C28H27N5O3 and molecular weight 481.2114 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-1-[(3,4-dimethoxyphenyl)methyl]-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
Also Known As: 2-amino-1-(3,4-dimethoxybenzyl)-N-(2-phenylethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, AO-022/43391213, 2-amino-1-[(3,4-dimethoxyphenyl)methyl]-N-(2-phenylethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide, 2-amino-1-(3,4-dimethoxybenzyl)-N-phenethyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 2-amino-1-[(3,4-dimethoxyphenyl)methyl]-N-phenethylpyrrolo[3,2-b]quinoxaline-3-carboxamide
| Molecular Formula | C28H27N5O3 |
| Molecular Weight | 481.2114 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 481.2114 Da |
| Heavy Atoms | 36 |
| Complexity | 719.0 |
| SMILES | COC1=C(C=C(C=C1)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC5=CC=CC=C5)N)OC |
| InChIKey | ZTPQIEJPZXOSAP-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 2-amino-1-(3,4-dimethoxybenzyl)-N-(2-phenylethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-1-(3,4-dimethoxybenzyl)-N-(2-phenylethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide. Following Lipinski's Rule of Five, 2-amino-1-(3,4-dimethoxybenzyl)-N-(2-phenylethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-amino-1-(3,4-dimethoxybenzyl)-N-(2-phenylethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide is 842957-68-0.
The molecular formula of 2-amino-1-(3,4-dimethoxybenzyl)-N-(2-phenylethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide is C28H27N5O3.
The molecular weight of 2-amino-1-(3,4-dimethoxybenzyl)-N-(2-phenylethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide is 481.2114 g/mol.
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