ethoxy-[3-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(2-hydroxyethylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]propyl]phosphinic acid

C23H27FN3O7P — CID 54679095

About ethoxy-[3-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(2-hydroxyethylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]propyl]phosphinic acid

ethoxy-[3-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(2-hydroxyethylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]propyl]phosphinic acid (PubChem CID 54679095) has the molecular formula C23H27FN3O7P and a molecular weight of 507.46 g/mol. Its IUPAC name is ethoxy-[3-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(2-hydroxyethylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]propyl]phosphinic acid.

Molecular Properties

• Compound Name: ethoxy-[3-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(2-hydroxyethylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]propyl]phosphinic acid
• PubChem CID: 54679095
• Molecular Formula: C23H27FN3O7P
• Molecular Weight: 507.46 g/mol
• Exact Mass: 507.16
• IUPAC Name: ethoxy-[3-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(2-hydroxyethylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]propyl]phosphinic acid
• SMILES: CCOP(=O)(O)CCCn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21
• InChI: InChI=1S/C23H27FN3O7P/c1-2-34-35(32,33)11-3-9-27-18-13-16(12-15-4-6-17(24)7-5-15)14-26-20(18)21(29)19(23(27)31)22(30)25-8-10-28/h4-7,13-14,28-29H,2-3,8-12H2,1H3,(H,25,30)(H,32,33)
• InChIKey: ZCBXCUZXRUMCQG-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 150.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.46
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethoxy-[3-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(2-hydroxyethylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]propyl]phosphinic acid?

The IUPAC name of ethoxy-[3-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(2-hydroxyethylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]propyl]phosphinic acid (CID 54679095) is ethoxy-[3-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(2-hydroxyethylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]propyl]phosphinic acid.

What is the SMILES notation for ethoxy-[3-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(2-hydroxyethylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]propyl]phosphinic acid?

The canonical SMILES for ethoxy-[3-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(2-hydroxyethylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]propyl]phosphinic acid is CCOP(=O)(O)CCCn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21.

What is the InChIKey of ethoxy-[3-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(2-hydroxyethylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]propyl]phosphinic acid?

The InChIKey is ZCBXCUZXRUMCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN3O7P/c1-2-34-35(32,33)11-3-9-27-18-13-16(12-15-4-6-17(24)7-5-15)14-26-20(18)21(29)19(23(27)31)22(30)25-8-10-28/h4-7,13-14,28-29H,2-3,8-12H2,1H3,(H,25,30)(H,32,33).

What are the key properties of ethoxy-[3-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(2-hydroxyethylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]propyl]phosphinic acid?

ethoxy-[3-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(2-hydroxyethylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]propyl]phosphinic acid has a molecular weight of 507.46 g/mol, XLogP of 2.17, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethoxy-[3-[7-[(4-fluorophenyl)methyl]-4-hydroxy-3-(2-hydroxyethylcarbamoyl)-2-oxo-1,5-naphthyridin-1-yl]propyl]phosphinic acid is sourced from PubChem (CID 54679095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).