TL;DR: 3-hydroxy-N-{3-[(3-methylbutyl)amino]-3-oxopropyl}quinoxaline-1(2H)-carboxamide (CAS 903201-96-7) is a chemical compound with molecular formula C17H24N4O3 and molecular weight 332.18484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(3-methylbutylamino)-3-oxopropyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
Also Known As: 3-hydroxy-N-{3-[(3-methylbutyl)amino]-3-oxopropyl}quinoxaline-1(2H)-carboxamide, N-(3-(isopentylamino)-3-oxopropyl)-3-oxo-3,4-dihydroquinoxaline-1(2H)-carboxamide, N-[3-(3-methylbutylamino)-3-oxopropyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
| Molecular Formula | C17H24N4O3 |
| Molecular Weight | 332.18484 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 90.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.18484 Da |
| Heavy Atoms | 24 |
| Complexity | 467.0 |
| SMILES | CC(C)CCNC(=O)CCNC(=O)N1CC(=O)NC2=CC=CC=C21 |
| InChIKey | VZNNKTLZGPNFHZ-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-hydroxy-N-{3-[(3-methylbutyl)amino]-3-oxopropyl}quinoxaline-1(2H)-carboxamide. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hydroxy-N-{3-[(3-methylbutyl)amino]-3-oxopropyl}quinoxaline-1(2H)-carboxamide. Following Lipinski's Rule of Five, 3-hydroxy-N-{3-[(3-methylbutyl)amino]-3-oxopropyl}quinoxaline-1(2H)-carboxamide has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-hydroxy-N-{3-[(3-methylbutyl)amino]-3-oxopropyl}quinoxaline-1(2H)-carboxamide is 903201-96-7.
The molecular formula of 3-hydroxy-N-{3-[(3-methylbutyl)amino]-3-oxopropyl}quinoxaline-1(2H)-carboxamide is C17H24N4O3.
The molecular weight of 3-hydroxy-N-{3-[(3-methylbutyl)amino]-3-oxopropyl}quinoxaline-1(2H)-carboxamide is 332.18484 g/mol.
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