TL;DR: 1-benzoyl-2-(4-methoxyphenyl)-3-nitro-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline (CAS 1212409-42-1) is a chemical compound with molecular formula C26H22N2O4 and molecular weight 426.15796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(4-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl]-phenylmethanone
Also Known As: F1488-0003, 1-benzoyl-2-(4-methoxyphenyl)-3-nitro-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline, (2-(4-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl)(phenyl)methanone, [2-(4-methoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl]-phenylmethanone, [4-(p-methoxyphenyl)-5-nitro-2-azatricyclo[7.4.0.0(2),]trideca-1(9),7,10,12-tetraen-3-yl]phenylmethanone
| Molecular Formula | C26H22N2O4 |
| Molecular Weight | 426.15796 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.15796 Da |
| Heavy Atoms | 32 |
| Complexity | 720.0 |
| SMILES | COC1=CC=C(C=C1)C2C(C3C=CC4=CC=CC=C4N3C2C(=O)C5=CC=CC=C5)[N+](=O)[O-] |
| InChIKey | PGMOKPXIUVCHPT-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 1-benzoyl-2-(4-methoxyphenyl)-3-nitro-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzoyl-2-(4-methoxyphenyl)-3-nitro-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline. Following Lipinski's Rule of Five, 1-benzoyl-2-(4-methoxyphenyl)-3-nitro-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-benzoyl-2-(4-methoxyphenyl)-3-nitro-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline is 1212409-42-1.
The molecular formula of 1-benzoyl-2-(4-methoxyphenyl)-3-nitro-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline is C26H22N2O4.
The molecular weight of 1-benzoyl-2-(4-methoxyphenyl)-3-nitro-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline is 426.15796 g/mol.
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