[2-[benzyl(ethyl)amino]-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate

C21H21FN2O4 — CID 46695717

About [2-[benzyl(ethyl)amino]-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate

[2-[benzyl(ethyl)amino]-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate (PubChem CID 46695717) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is [2-[benzyl(ethyl)amino]-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate.

Molecular Properties

• Compound Name: [2-[benzyl(ethyl)amino]-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
• PubChem CID: 46695717
• Molecular Formula: C21H21FN2O4
• Molecular Weight: 384.41 g/mol
• Exact Mass: 384.15
• IUPAC Name: [2-[benzyl(ethyl)amino]-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
• SMILES: CCN(Cc1ccccc1)C(=O)COC(=O)C1CC(=O)Nc2cc(F)ccc21
• InChI: InChI=1S/C21H21FN2O4/c1-2-24(12-14-6-4-3-5-7-14)20(26)13-28-21(27)17-11-19(25)23-18-10-15(22)8-9-16(17)18/h3-10,17H,2,11-13H2,1H3,(H,23,25)
• InChIKey: ZDYHJQXMDFXBJP-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.41
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?

The IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate (CID 46695717) is [2-[benzyl(ethyl)amino]-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate.

What is the SMILES notation for [2-[benzyl(ethyl)amino]-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?

The canonical SMILES for [2-[benzyl(ethyl)amino]-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate is CCN(Cc1ccccc1)C(=O)COC(=O)C1CC(=O)Nc2cc(F)ccc21.

What is the InChIKey of [2-[benzyl(ethyl)amino]-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?

The InChIKey is ZDYHJQXMDFXBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c1-2-24(12-14-6-4-3-5-7-14)20(26)13-28-21(27)17-11-19(25)23-18-10-15(22)8-9-16(17)18/h3-10,17H,2,11-13H2,1H3,(H,23,25).

What are the key properties of [2-[benzyl(ethyl)amino]-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?

[2-[benzyl(ethyl)amino]-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate has a molecular weight of 384.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[benzyl(ethyl)amino]-2-oxoethyl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate is sourced from PubChem (CID 46695717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).