6-ethoxy-N-(4-methoxyphenyl)-7-methyl-1,8-naphthyridin-4-amine;ethyl 4-(4-methoxyanilino)-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate

C37H35F3N6O5 — CID 160954023

About 6-ethoxy-N-(4-methoxyphenyl)-7-methyl-1,8-naphthyridin-4-amine;ethyl 4-(4-methoxyanilino)-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate

6-ethoxy-N-(4-methoxyphenyl)-7-methyl-1,8-naphthyridin-4-amine;ethyl 4-(4-methoxyanilino)-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (PubChem CID 160954023) has the molecular formula C37H35F3N6O5 and a molecular weight of 700.72 g/mol. Its IUPAC name is 6-ethoxy-N-(4-methoxyphenyl)-7-methyl-1,8-naphthyridin-4-amine;ethyl 4-(4-methoxyanilino)-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.

Molecular Properties

• Compound Name: 6-ethoxy-N-(4-methoxyphenyl)-7-methyl-1,8-naphthyridin-4-amine;ethyl 4-(4-methoxyanilino)-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
• PubChem CID: 160954023
• Molecular Formula: C37H35F3N6O5
• Molecular Weight: 700.72 g/mol
• Exact Mass: 700.26
• IUPAC Name: 6-ethoxy-N-(4-methoxyphenyl)-7-methyl-1,8-naphthyridin-4-amine;ethyl 4-(4-methoxyanilino)-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
• SMILES: CCOC(=O)c1cnc2nc(C(F)(F)F)ccc2c1Nc1ccc(OC)cc1.CCOc1cc2c(Nc3ccc(OC)cc3)ccnc2nc1C
• InChI: InChI=1S/C19H16F3N3O3.C18H19N3O2/c1-3-28-18(26)14-10-23-17-13(8-9-15(25-17)19(20,21)22)16(14)24-11-4-6-12(27-2)7-5-11;1-4-23-17-11-15-16(9-10-19-18(15)20-12(17)2)21-13-5-7-14(22-3)8-6-13/h4-10H,3H2,1-2H3,(H,23,24,25);5-11H,4H2,1-3H3,(H,19,20,21)
• InChIKey: SWDIEBLVPLTISW-UHFFFAOYSA-N
• XLogP: 8.67
• TPSA: 129.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	700.72
LogP ≤ 5	8.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(4-methoxyphenyl)-7-methyl-1,8-naphthyridin-4-amine;ethyl 4-(4-methoxyanilino)-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?

The IUPAC name of 6-ethoxy-N-(4-methoxyphenyl)-7-methyl-1,8-naphthyridin-4-amine;ethyl 4-(4-methoxyanilino)-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate (CID 160954023) is 6-ethoxy-N-(4-methoxyphenyl)-7-methyl-1,8-naphthyridin-4-amine;ethyl 4-(4-methoxyanilino)-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate.

What is the SMILES notation for 6-ethoxy-N-(4-methoxyphenyl)-7-methyl-1,8-naphthyridin-4-amine;ethyl 4-(4-methoxyanilino)-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?

The canonical SMILES for 6-ethoxy-N-(4-methoxyphenyl)-7-methyl-1,8-naphthyridin-4-amine;ethyl 4-(4-methoxyanilino)-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cnc2nc(C(F)(F)F)ccc2c1Nc1ccc(OC)cc1.CCOc1cc2c(Nc3ccc(OC)cc3)ccnc2nc1C.

What is the InChIKey of 6-ethoxy-N-(4-methoxyphenyl)-7-methyl-1,8-naphthyridin-4-amine;ethyl 4-(4-methoxyanilino)-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?

The InChIKey is SWDIEBLVPLTISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3.C18H19N3O2/c1-3-28-18(26)14-10-23-17-13(8-9-15(25-17)19(20,21)22)16(14)24-11-4-6-12(27-2)7-5-11;1-4-23-17-11-15-16(9-10-19-18(15)20-12(17)2)21-13-5-7-14(22-3)8-6-13/h4-10H,3H2,1-2H3,(H,23,24,25);5-11H,4H2,1-3H3,(H,19,20,21).

What are the key properties of 6-ethoxy-N-(4-methoxyphenyl)-7-methyl-1,8-naphthyridin-4-amine;ethyl 4-(4-methoxyanilino)-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate?

6-ethoxy-N-(4-methoxyphenyl)-7-methyl-1,8-naphthyridin-4-amine;ethyl 4-(4-methoxyanilino)-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate has a molecular weight of 700.72 g/mol, XLogP of 8.67, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-N-(4-methoxyphenyl)-7-methyl-1,8-naphthyridin-4-amine;ethyl 4-(4-methoxyanilino)-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 160954023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).