5-ethoxy-7-methyl-2-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-one;7-methyl-2-(3-nitroanilino)-1-(3-nitrophenyl)-5-propoxy-1,6-naphthyridin-4-one

C49H40F6N8O8 — CID 142224670

About 5-ethoxy-7-methyl-2-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-one;7-methyl-2-(3-nitroanilino)-1-(3-nitrophenyl)-5-propoxy-1,6-naphthyridin-4-one

5-ethoxy-7-methyl-2-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-one;7-methyl-2-(3-nitroanilino)-1-(3-nitrophenyl)-5-propoxy-1,6-naphthyridin-4-one (PubChem CID 142224670) has the molecular formula C49H40F6N8O8 and a molecular weight of 982.89 g/mol. Its IUPAC name is 5-ethoxy-7-methyl-2-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-one;7-methyl-2-(3-nitroanilino)-1-(3-nitrophenyl)-5-propoxy-1,6-naphthyridin-4-one.

Molecular Properties

• Compound Name: 5-ethoxy-7-methyl-2-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-one;7-methyl-2-(3-nitroanilino)-1-(3-nitrophenyl)-5-propoxy-1,6-naphthyridin-4-one
• PubChem CID: 142224670
• Molecular Formula: C49H40F6N8O8
• Molecular Weight: 982.89 g/mol
• Exact Mass: 982.29
• IUPAC Name: 5-ethoxy-7-methyl-2-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-one;7-methyl-2-(3-nitroanilino)-1-(3-nitrophenyl)-5-propoxy-1,6-naphthyridin-4-one
• SMILES: CCCOc1nc(C)cc2c1c(=O)cc(Nc1cccc([N+](=O)[O-])c1)n2-c1cccc([N+](=O)[O-])c1.CCOc1nc(C)cc2c1c(=O)cc(Nc1cccc(C(F)(F)F)c1)n2-c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C25H19F6N3O2.C24H21N5O6/c1-3-36-23-22-19(10-14(2)32-23)34(18-9-5-7-16(12-18)25(29,30)31)21(13-20(22)35)33-17-8-4-6-15(11-17)24(26,27)28;1-3-10-35-24-23-20(11-15(2)25-24)27(17-7-5-9-19(13-17)29(33)34)22(14-21(23)30)26-16-6-4-8-18(12-16)28(31)32/h4-13,33H,3H2,1-2H3;4-9,11-14,26H,3,10H2,1-2H3
• InChIKey: VFEOMDAJXOZHQB-UHFFFAOYSA-N
• XLogP: 11.92
• TPSA: 198.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	982.89
LogP ≤ 5	11.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-7-methyl-2-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-one;7-methyl-2-(3-nitroanilino)-1-(3-nitrophenyl)-5-propoxy-1,6-naphthyridin-4-one?

The IUPAC name of 5-ethoxy-7-methyl-2-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-one;7-methyl-2-(3-nitroanilino)-1-(3-nitrophenyl)-5-propoxy-1,6-naphthyridin-4-one (CID 142224670) is 5-ethoxy-7-methyl-2-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-one;7-methyl-2-(3-nitroanilino)-1-(3-nitrophenyl)-5-propoxy-1,6-naphthyridin-4-one.

What is the SMILES notation for 5-ethoxy-7-methyl-2-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-one;7-methyl-2-(3-nitroanilino)-1-(3-nitrophenyl)-5-propoxy-1,6-naphthyridin-4-one?

The canonical SMILES for 5-ethoxy-7-methyl-2-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-one;7-methyl-2-(3-nitroanilino)-1-(3-nitrophenyl)-5-propoxy-1,6-naphthyridin-4-one is CCCOc1nc(C)cc2c1c(=O)cc(Nc1cccc([N+](=O)[O-])c1)n2-c1cccc([N+](=O)[O-])c1.CCOc1nc(C)cc2c1c(=O)cc(Nc1cccc(C(F)(F)F)c1)n2-c1cccc(C(F)(F)F)c1.

What is the InChIKey of 5-ethoxy-7-methyl-2-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-one;7-methyl-2-(3-nitroanilino)-1-(3-nitrophenyl)-5-propoxy-1,6-naphthyridin-4-one?

The InChIKey is VFEOMDAJXOZHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F6N3O2.C24H21N5O6/c1-3-36-23-22-19(10-14(2)32-23)34(18-9-5-7-16(12-18)25(29,30)31)21(13-20(22)35)33-17-8-4-6-15(11-17)24(26,27)28;1-3-10-35-24-23-20(11-15(2)25-24)27(17-7-5-9-19(13-17)29(33)34)22(14-21(23)30)26-16-6-4-8-18(12-16)28(31)32/h4-13,33H,3H2,1-2H3;4-9,11-14,26H,3,10H2,1-2H3.

What are the key properties of 5-ethoxy-7-methyl-2-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-one;7-methyl-2-(3-nitroanilino)-1-(3-nitrophenyl)-5-propoxy-1,6-naphthyridin-4-one?

5-ethoxy-7-methyl-2-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-one;7-methyl-2-(3-nitroanilino)-1-(3-nitrophenyl)-5-propoxy-1,6-naphthyridin-4-one has a molecular weight of 982.89 g/mol, XLogP of 11.92, 13 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethoxy-7-methyl-2-[3-(trifluoromethyl)anilino]-1-[3-(trifluoromethyl)phenyl]-1,6-naphthyridin-4-one;7-methyl-2-(3-nitroanilino)-1-(3-nitrophenyl)-5-propoxy-1,6-naphthyridin-4-one is sourced from PubChem (CID 142224670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).