ethyl 2-methyl-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate

C32H24F6N2O3 — CID 20559734

About ethyl 2-methyl-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate

ethyl 2-methyl-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate (PubChem CID 20559734) has the molecular formula C32H24F6N2O3 and a molecular weight of 598.54 g/mol. Its IUPAC name is ethyl 2-methyl-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-methyl-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate
• PubChem CID: 20559734
• Molecular Formula: C32H24F6N2O3
• Molecular Weight: 598.54 g/mol
• Exact Mass: 598.17
• IUPAC Name: ethyl 2-methyl-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate
• SMILES: CCOC(=O)C1=C(C)Nc2cc(-c3ccccc3)n(-c3ccc(C(F)(F)F)cc3)c(=O)c2C1c1ccccc1C(F)(F)F
• InChI: InChI=1S/C32H24F6N2O3/c1-3-43-30(42)26-18(2)39-24-17-25(19-9-5-4-6-10-19)40(21-15-13-20(14-16-21)31(33,34)35)29(41)28(24)27(26)22-11-7-8-12-23(22)32(36,37)38/h4-17,27,39H,3H2,1-2H3
• InChIKey: AODISUAYRHJUCF-UHFFFAOYSA-N
• XLogP: 7.94
• TPSA: 60.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.54
LogP ≤ 5	7.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate?

The IUPAC name of ethyl 2-methyl-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate (CID 20559734) is ethyl 2-methyl-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate.

What is the SMILES notation for ethyl 2-methyl-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate?

The canonical SMILES for ethyl 2-methyl-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate is CCOC(=O)C1=C(C)Nc2cc(-c3ccccc3)n(-c3ccc(C(F)(F)F)cc3)c(=O)c2C1c1ccccc1C(F)(F)F.

What is the InChIKey of ethyl 2-methyl-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate?

The InChIKey is AODISUAYRHJUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F6N2O3/c1-3-43-30(42)26-18(2)39-24-17-25(19-9-5-4-6-10-19)40(21-15-13-20(14-16-21)31(33,34)35)29(41)28(24)27(26)22-11-7-8-12-23(22)32(36,37)38/h4-17,27,39H,3H2,1-2H3.

What are the key properties of ethyl 2-methyl-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate?

ethyl 2-methyl-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate has a molecular weight of 598.54 g/mol, XLogP of 7.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-methyl-5-oxo-7-phenyl-4-[2-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 20559734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).