N-[2-[[8-chloro-1-[2,6-dichloro-4-(2-hydroxyethoxy)phenyl]-2-methyl-4-oxo-1,6-naphthyridin-5-yl]oxy]-2-hydroxyethyl]acetamide

C21H20Cl3N3O6 — CID 172523269

About N-[2-[[8-chloro-1-[2,6-dichloro-4-(2-hydroxyethoxy)phenyl]-2-methyl-4-oxo-1,6-naphthyridin-5-yl]oxy]-2-hydroxyethyl]acetamide

N-[2-[[8-chloro-1-[2,6-dichloro-4-(2-hydroxyethoxy)phenyl]-2-methyl-4-oxo-1,6-naphthyridin-5-yl]oxy]-2-hydroxyethyl]acetamide (PubChem CID 172523269) has the molecular formula C21H20Cl3N3O6 and a molecular weight of 516.77 g/mol. Its IUPAC name is N-[2-[[8-chloro-1-[2,6-dichloro-4-(2-hydroxyethoxy)phenyl]-2-methyl-4-oxo-1,6-naphthyridin-5-yl]oxy]-2-hydroxyethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[[8-chloro-1-[2,6-dichloro-4-(2-hydroxyethoxy)phenyl]-2-methyl-4-oxo-1,6-naphthyridin-5-yl]oxy]-2-hydroxyethyl]acetamide
• PubChem CID: 172523269
• Molecular Formula: C21H20Cl3N3O6
• Molecular Weight: 516.77 g/mol
• Exact Mass: 515.04
• IUPAC Name: N-[2-[[8-chloro-1-[2,6-dichloro-4-(2-hydroxyethoxy)phenyl]-2-methyl-4-oxo-1,6-naphthyridin-5-yl]oxy]-2-hydroxyethyl]acetamide
• SMILES: CC(=O)NCC(O)Oc1ncc(Cl)c2c1c(=O)cc(C)n2-c1c(Cl)cc(OCCO)cc1Cl
• InChI: InChI=1S/C21H20Cl3N3O6/c1-10-5-16(30)18-20(15(24)8-26-21(18)33-17(31)9-25-11(2)29)27(10)19-13(22)6-12(7-14(19)23)32-4-3-28/h5-8,17,28,31H,3-4,9H2,1-2H3,(H,25,29)
• InChIKey: SCQNLGVFCLJNRU-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 122.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.77
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[8-chloro-1-[2,6-dichloro-4-(2-hydroxyethoxy)phenyl]-2-methyl-4-oxo-1,6-naphthyridin-5-yl]oxy]-2-hydroxyethyl]acetamide?

The IUPAC name of N-[2-[[8-chloro-1-[2,6-dichloro-4-(2-hydroxyethoxy)phenyl]-2-methyl-4-oxo-1,6-naphthyridin-5-yl]oxy]-2-hydroxyethyl]acetamide (CID 172523269) is N-[2-[[8-chloro-1-[2,6-dichloro-4-(2-hydroxyethoxy)phenyl]-2-methyl-4-oxo-1,6-naphthyridin-5-yl]oxy]-2-hydroxyethyl]acetamide.

What is the SMILES notation for N-[2-[[8-chloro-1-[2,6-dichloro-4-(2-hydroxyethoxy)phenyl]-2-methyl-4-oxo-1,6-naphthyridin-5-yl]oxy]-2-hydroxyethyl]acetamide?

The canonical SMILES for N-[2-[[8-chloro-1-[2,6-dichloro-4-(2-hydroxyethoxy)phenyl]-2-methyl-4-oxo-1,6-naphthyridin-5-yl]oxy]-2-hydroxyethyl]acetamide is CC(=O)NCC(O)Oc1ncc(Cl)c2c1c(=O)cc(C)n2-c1c(Cl)cc(OCCO)cc1Cl.

What is the InChIKey of N-[2-[[8-chloro-1-[2,6-dichloro-4-(2-hydroxyethoxy)phenyl]-2-methyl-4-oxo-1,6-naphthyridin-5-yl]oxy]-2-hydroxyethyl]acetamide?

The InChIKey is SCQNLGVFCLJNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl3N3O6/c1-10-5-16(30)18-20(15(24)8-26-21(18)33-17(31)9-25-11(2)29)27(10)19-13(22)6-12(7-14(19)23)32-4-3-28/h5-8,17,28,31H,3-4,9H2,1-2H3,(H,25,29).

What are the key properties of N-[2-[[8-chloro-1-[2,6-dichloro-4-(2-hydroxyethoxy)phenyl]-2-methyl-4-oxo-1,6-naphthyridin-5-yl]oxy]-2-hydroxyethyl]acetamide?

N-[2-[[8-chloro-1-[2,6-dichloro-4-(2-hydroxyethoxy)phenyl]-2-methyl-4-oxo-1,6-naphthyridin-5-yl]oxy]-2-hydroxyethyl]acetamide has a molecular weight of 516.77 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[8-chloro-1-[2,6-dichloro-4-(2-hydroxyethoxy)phenyl]-2-methyl-4-oxo-1,6-naphthyridin-5-yl]oxy]-2-hydroxyethyl]acetamide is sourced from PubChem (CID 172523269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).