[2-(3,5-dichloroanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C20H17Cl2N3O4 — CID 5039578

About [2-(3,5-dichloroanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

[2-(3,5-dichloroanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 5039578) has the molecular formula C20H17Cl2N3O4 and a molecular weight of 434.28 g/mol. Its IUPAC name is [2-(3,5-dichloroanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

• Compound Name: [2-(3,5-dichloroanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
• PubChem CID: 5039578
• Molecular Formula: C20H17Cl2N3O4
• Molecular Weight: 434.28 g/mol
• Exact Mass: 433.06
• IUPAC Name: [2-(3,5-dichloroanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
• SMILES: CCn1cc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)c2ccc(C)nc21
• InChI: InChI=1S/C20H17Cl2N3O4/c1-3-25-9-16(18(27)15-5-4-11(2)23-19(15)25)20(28)29-10-17(26)24-14-7-12(21)6-13(22)8-14/h4-9H,3,10H2,1-2H3,(H,24,26)
• InChIKey: FQBGWKDCIOHXNY-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 90.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.28
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichloroanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?

The IUPAC name of [2-(3,5-dichloroanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 5039578) is [2-(3,5-dichloroanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

What is the SMILES notation for [2-(3,5-dichloroanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?

The canonical SMILES for [2-(3,5-dichloroanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCn1cc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)c2ccc(C)nc21.

What is the InChIKey of [2-(3,5-dichloroanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?

The InChIKey is FQBGWKDCIOHXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O4/c1-3-25-9-16(18(27)15-5-4-11(2)23-19(15)25)20(28)29-10-17(26)24-14-7-12(21)6-13(22)8-14/h4-9H,3,10H2,1-2H3,(H,24,26).

What are the key properties of [2-(3,5-dichloroanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?

[2-(3,5-dichloroanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 434.28 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(3,5-dichloroanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 5039578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).