TL;DR: 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-5-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-2H,3H-imidazo[1,2-c]quinazolin-3-one (CAS 1040736-84-2) is a chemical compound with molecular formula C32H29N7O3S and molecular weight 591.20526 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one
Also Known As: 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-5-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-2H,3H-imidazo[1,2-c]quinazolin-3-one, F0919-6347, 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-5-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one, 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]thio}imidazo[1,2-c]quinazolin-3(2H)-one
| Molecular Formula | C32H29N7O3S |
| Molecular Weight | 591.20526 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 591.20526 Da |
| Heavy Atoms | 43 |
| Complexity | 1340.0 |
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)CCC3C(=O)N4C(=N3)C5=CC=CC=C5N=C4SCC6=CC(=O)N7C=CC=CC7=N6 |
| InChIKey | KPGQCQQRIBIMKC-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-5-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-2H,3H-imidazo[1,2-c]quinazolin-3-one. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-5-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-2H,3H-imidazo[1,2-c]quinazolin-3-one. Following Lipinski's Rule of Five, 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-5-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-2H,3H-imidazo[1,2-c]quinazolin-3-one has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-5-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-2H,3H-imidazo[1,2-c]quinazolin-3-one is 1040736-84-2.
The molecular formula of 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-5-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-2H,3H-imidazo[1,2-c]quinazolin-3-one is C32H29N7O3S.
The molecular weight of 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-5-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-2H,3H-imidazo[1,2-c]quinazolin-3-one is 591.20526 g/mol.
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