TL;DR: methyl N-[(4-oxoquinazolin-3(4H)-yl)acetyl]-L-leucinate (CAS 1020114-07-1) is a chemical compound with molecular formula C17H21N3O4 and molecular weight 331.1532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-4-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoate
Also Known As: methyl N-[(4-oxoquinazolin-3(4H)-yl)acetyl]-L-leucinate, (S)-methyl 4-methyl-2-(2-(4-oxoquinazolin-3(4H)-yl)acetamido)pentanoate, methyl (2S)-4-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoate
| Molecular Formula | C17H21N3O4 |
| Molecular Weight | 331.1532 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 88.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.1532 Da |
| Heavy Atoms | 24 |
| Complexity | 518.0 |
| SMILES | CC(C)C[C@@H](C(=O)OC)NC(=O)CN1C=NC2=CC=CC=C2C1=O |
| InChIKey | ZANZTSMJBDNPHN-AWEZNQCLSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-[(4-oxoquinazolin-3(4H)-yl)acetyl]-L-leucinate. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-[(4-oxoquinazolin-3(4H)-yl)acetyl]-L-leucinate. Following Lipinski's Rule of Five, methyl N-[(4-oxoquinazolin-3(4H)-yl)acetyl]-L-leucinate has 1 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 N-[(4-oxoquinazolin-3(4H)-yl)acetyl]-L-leucinate is 1020114-07-1.
The molecular formula of methyl N-[(4-oxoquinazolin-3(4H)-yl)acetyl]-L-leucinate is C17H21N3O4.
The molecular weight of methyl N-[(4-oxoquinazolin-3(4H)-yl)acetyl]-L-leucinate is 331.1532 g/mol.
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