TL;DR: 1'-acetyl-8'-methyl-2'-[4-(trifluoromethyl)phenyl]-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione (CAS 1217684-32-6) is a chemical compound with molecular formula C30H22F3NO3 and molecular weight 501.15518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-acetyl-8-methyl-2-[4-(trifluoromethyl)phenyl]spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
Also Known As: 1'-acetyl-8'-methyl-2'-[4-(trifluoromethyl)phenyl]-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione, 1-acetyl-8-methyl-2-[4-(trifluoromethyl)phenyl]spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione, 1a(2)-Acetyl-1a(2),2a(2)-dihydro-8a(2)-methyl-2a(2)-[4-(trifluoromethyl)phenyl]spiro[2H-indene-2,3a(2)(3a(2)aH)-pyrrolo[1,2-a]quinoline]-1,3-dione
| Molecular Formula | C30H22F3NO3 |
| Molecular Weight | 501.15518 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 501.15518 Da |
| Heavy Atoms | 37 |
| Complexity | 973.0 |
| SMILES | CC1=CC2=C(C=CC3N2C(C(C34C(=O)C5=CC=CC=C5C4=O)C6=CC=C(C=C6)C(F)(F)F)C(=O)C)C=C1 |
| InChIKey | VYNFQXLDWBYRKE-UHFFFAOYSA-N |
The XLogP value of 6.0 indicates that 1'-acetyl-8'-methyl-2'-[4-(trifluoromethyl)phenyl]-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 1'-acetyl-8'-methyl-2'-[4-(trifluoromethyl)phenyl]-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1'-acetyl-8'-methyl-2'-[4-(trifluoromethyl)phenyl]-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1'-acetyl-8'-methyl-2'-[4-(trifluoromethyl)phenyl]-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione is 1217684-32-6.
The molecular formula of 1'-acetyl-8'-methyl-2'-[4-(trifluoromethyl)phenyl]-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione is C30H22F3NO3.
The molecular weight of 1'-acetyl-8'-methyl-2'-[4-(trifluoromethyl)phenyl]-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione is 501.15518 g/mol.
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