TL;DR: Spiro(pyrrolidine-3,2'(1'H)quinazolin)-5-one, 6'-chloro-4'-(2-fluorophenyl)- (CAS 112634-58-9) is a chemical compound with molecular formula C17H13ClFN3O and molecular weight 329.07312 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-4-(2-fluorophenyl)spiro[1H-quinazoline-2,4'-pyrrolidine]-2'-one
Also Known As: 6'-Chloro-4'-(2-fluorophenyl)spiro(pyrrolidine-3,2'(1'H)-quinazolin)-5-one, Spiro(pyrrolidine-3,2'(1'H)quinazolin)-5-one, 6'-chloro-4'-(2-fluorophenyl)-, 6-chloro-4-(2-fluorophenyl)spiro[1H-quinazoline-2,4'-pyrrolidine]-2'-one, Spiro[pyrrolidine-3,2'(1'H)-quinazolin]-5-one, 6'-chloro-4'-(2-fluorophenyl)-, 6'-Chloro-4'-(2-fluorophenyl)-2,4-dihydro-1'H-spiro[pyrrole-3,2'-quinazolin]-5-ol
| Molecular Formula | C17H13ClFN3O |
| Molecular Weight | 329.07312 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 53.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 329.07312 Da |
| Heavy Atoms | 23 |
| Complexity | 528.0 |
| SMILES | C1C(=O)NCC12NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4F |
| InChIKey | FBZZFERPOIOJFG-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro(pyrrolidine-3,2'(1'H)quinazolin)-5-one, 6'-chloro-4'-(2-fluorophenyl)-. With a topological polar surface area (TPSA) of 53.5 Ų, Spiro(pyrrolidine-3,2'(1'H)quinazolin)-5-one, 6'-chloro-4'-(2-fluorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro(pyrrolidine-3,2'(1'H)quinazolin)-5-one, 6'-chloro-4'-(2-fluorophenyl)- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Spiro(pyrrolidine-3,2'(1'H)quinazolin)-5-one, 6'-chloro-4'-(2-fluorophenyl)- is 112634-58-9.
The molecular formula of Spiro(pyrrolidine-3,2'(1'H)quinazolin)-5-one, 6'-chloro-4'-(2-fluorophenyl)- is C17H13ClFN3O.
The molecular weight of Spiro(pyrrolidine-3,2'(1'H)quinazolin)-5-one, 6'-chloro-4'-(2-fluorophenyl)- is 329.07312 g/mol.
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