TL;DR: 2-[4-(dimethylamino)phenyl]-3-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-2,3-dihydroquinazolin-4(1H)-one (CAS 139722-35-3) is a chemical compound with molecular formula C25H27N5O and molecular weight 413.22156 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(dimethylamino)phenyl]-3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,2-dihydroquinazolin-4-one
Also Known As: 2-[4-(dimethylamino)phenyl]-3-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-2,3-dihydroquinazolin-4(1H)-one, 2-[4-(dimethylamino)phenyl]-3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1,2-dihydroquinazolin-4-one
| Molecular Formula | C25H27N5O |
| Molecular Weight | 413.22156 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.22156 Da |
| Heavy Atoms | 31 |
| Complexity | 619.0 |
| SMILES | CN(C)C1=CC=C(C=C1)/C=N/N2C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)N(C)C |
| InChIKey | KOBUWYFAEIRWGH-YZSQISJMSA-N |
The XLogP value of 4.6 indicates that 2-[4-(dimethylamino)phenyl]-3-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-2,3-dihydroquinazolin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, 2-[4-(dimethylamino)phenyl]-3-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-2,3-dihydroquinazolin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(dimethylamino)phenyl]-3-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-2,3-dihydroquinazolin-4(1H)-one 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 2-[4-(dimethylamino)phenyl]-3-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-2,3-dihydroquinazolin-4(1H)-one is 139722-35-3.
The molecular formula of 2-[4-(dimethylamino)phenyl]-3-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-2,3-dihydroquinazolin-4(1H)-one is C25H27N5O.
The molecular weight of 2-[4-(dimethylamino)phenyl]-3-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-2,3-dihydroquinazolin-4(1H)-one is 413.22156 g/mol.
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