TL;DR: 2-(4-methoxyphenyl)-1-oxo-3-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinoline-4-carboxamide (CAS 1024448-60-9) is a chemical compound with molecular formula C30H24F3N3O3 and molecular weight 531.177 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methoxyphenyl)-1-oxo-3-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinoline-4-carboxamide
Also Known As: 2-(4-methoxyphenyl)-1-oxo-3-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinoline-4-carboxamide, (2-(4-methoxyphenyl)-1-oxo-3-(3-pyridyl)(4-2,3,4-trihydroisoquinolyl))-N-((3-(trifluoromethyl)phenyl)methyl)formamide, 1,2,3,4-Tetrahydro-2-(4-methoxyphenyl)-1-oxo-3-(3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-4-isoquinolinecarboxamide, 2-(4-methoxyphenyl)-1-oxo-3-(3-pyridyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinoline-4-carboxamide, 2-(4-methoxyphenyl)-1-oxo-3-(pyridin-3-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
| Molecular Formula | C30H24F3N3O3 |
| Molecular Weight | 531.177 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 71.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 531.177 Da |
| Heavy Atoms | 39 |
| Complexity | 847.0 |
| SMILES | COC1=CC=C(C=C1)N2C(C(C3=CC=CC=C3C2=O)C(=O)NCC4=CC(=CC=C4)C(F)(F)F)C5=CN=CC=C5 |
| InChIKey | PMFFSXHKEVLIBJ-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 2-(4-methoxyphenyl)-1-oxo-3-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinoline-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-methoxyphenyl)-1-oxo-3-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinoline-4-carboxamide. Following Lipinski's Rule of Five, 2-(4-methoxyphenyl)-1-oxo-3-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinoline-4-carboxamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(4-methoxyphenyl)-1-oxo-3-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinoline-4-carboxamide is 1024448-60-9.
The molecular formula of 2-(4-methoxyphenyl)-1-oxo-3-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinoline-4-carboxamide is C30H24F3N3O3.
The molecular weight of 2-(4-methoxyphenyl)-1-oxo-3-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinoline-4-carboxamide is 531.177 g/mol.
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