TL;DR: 1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-hydroxy-3-(1-piperidinylmethyl)phenyl)-4-oxo-2-quinazolinyl)methyl)- (CAS 134700-33-7) is a chemical compound with molecular formula C29H26N4O4 and molecular weight 494.1954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione
Also Known As: 1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-hydroxy-3-(1-piperidinylmethyl)phenyl)-4-oxo-2-quinazolinyl)methyl)-, 2-[(3-{4-Hydroxy-3-[(piperidin-1-yl)methyl]phenyl}-4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-1H-isoindole-1,3(2H)-dione, 2-[[3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]-4-oxoquinazolin-2-yl]methyl]isoindole-1,3-dione, BRN 4773698
| Molecular Formula | C29H26N4O4 |
| Molecular Weight | 494.1954 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 93.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.1954 Da |
| Heavy Atoms | 37 |
| Complexity | 907.0 |
| SMILES | C1CCN(CC1)CC2=C(C=CC(=C2)N3C(=NC4=CC=CC=C4C3=O)CN5C(=O)C6=CC=CC=C6C5=O)O |
| InChIKey | LDFKGNVLQZVAFD-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-hydroxy-3-(1-piperidinylmethyl)phenyl)-4-oxo-2-quinazolinyl)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-hydroxy-3-(1-piperidinylmethyl)phenyl)-4-oxo-2-quinazolinyl)methyl)-. Following Lipinski's Rule of Five, 1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-hydroxy-3-(1-piperidinylmethyl)phenyl)-4-oxo-2-quinazolinyl)methyl)- has 1 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 1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-hydroxy-3-(1-piperidinylmethyl)phenyl)-4-oxo-2-quinazolinyl)methyl)- is 134700-33-7.
The molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-hydroxy-3-(1-piperidinylmethyl)phenyl)-4-oxo-2-quinazolinyl)methyl)- is C29H26N4O4.
The molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-hydroxy-3-(1-piperidinylmethyl)phenyl)-4-oxo-2-quinazolinyl)methyl)- is 494.1954 g/mol.
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