7-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one

C23H16F5N3O2 — CID 20791122

IUPAC7-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCCOc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccc(F)cc3)n(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C23H16F5N3O2/c1-2-33-20-11-17(23(26,27)28)21-18(32)12-19(29-15-7-3-13(24)4-8-15)31(22(21)30-20)16-9-5-14(25)6-10-16/h3-12,29H,2H2,1H3
InChIKeyHCLDPYHDGSLFJK-UHFFFAOYSA-N
MW461.39 g/mol
LogP5.82
Rot. Bonds5

About 7-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one

7-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 20791122) has the molecular formula C23H16F5N3O2 and a molecular weight of 461.39 g/mol. Its IUPAC name is 7-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID20791122
Molecular FormulaC23H16F5N3O2
Molecular Weight461.39 g/mol
Exact Mass461.12
IUPAC Name7-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCCOc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccc(F)cc3)n(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C23H16F5N3O2/c1-2-33-20-11-17(23(26,27)28)21-18(32)12-19(29-15-7-3-13(24)4-8-15)31(22(21)30-20)16-9-5-14(25)6-10-16/h3-12,29H,2H2,1H3
InChIKeyHCLDPYHDGSLFJK-UHFFFAOYSA-N
XLogP5.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.39
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 7-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 20791122) is 7-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 7-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one is CCOc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccc(F)cc3)n(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 7-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is HCLDPYHDGSLFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F5N3O2/c1-2-33-20-11-17(23(26,27)28)21-18(32)12-19(29-15-7-3-13(24)4-8-15)31(22(21)30-20)16-9-5-14(25)6-10-16/h3-12,29H,2H2,1H3.
What are the key properties of 7-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
7-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 461.39 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-2-(4-fluoroanilino)-1-(4-fluorophenyl)-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 20791122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).