7-(3-amino-3-methylazetidin-1-yl)-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

C15H16F2N4O3 — CID 10472289

About 7-(3-amino-3-methylazetidin-1-yl)-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-(3-amino-3-methylazetidin-1-yl)-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 10472289) has the molecular formula C15H16F2N4O3 and a molecular weight of 338.31 g/mol. Its IUPAC name is 7-(3-amino-3-methylazetidin-1-yl)-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-(3-amino-3-methylazetidin-1-yl)-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 10472289
• Molecular Formula: C15H16F2N4O3
• Molecular Weight: 338.31 g/mol
• Exact Mass: 338.12
• IUPAC Name: 7-(3-amino-3-methylazetidin-1-yl)-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: CC1(N)CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3CCF)C1
• InChI: InChI=1S/C15H16F2N4O3/c1-15(18)6-21(7-15)13-10(17)4-8-11(22)9(14(23)24)5-20(3-2-16)12(8)19-13/h4-5H,2-3,6-7,18H2,1H3,(H,23,24)
• InChIKey: RXLCZMWUICXVBD-UHFFFAOYSA-N
• XLogP: 0.74
• TPSA: 101.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.31
LogP ≤ 5	0.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(3-amino-3-methylazetidin-1-yl)-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 7-(3-amino-3-methylazetidin-1-yl)-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 10472289) is 7-(3-amino-3-methylazetidin-1-yl)-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 7-(3-amino-3-methylazetidin-1-yl)-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 7-(3-amino-3-methylazetidin-1-yl)-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is CC1(N)CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3CCF)C1.

What is the InChIKey of 7-(3-amino-3-methylazetidin-1-yl)-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is RXLCZMWUICXVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O3/c1-15(18)6-21(7-15)13-10(17)4-8-11(22)9(14(23)24)5-20(3-2-16)12(8)19-13/h4-5H,2-3,6-7,18H2,1H3,(H,23,24).

What are the key properties of 7-(3-amino-3-methylazetidin-1-yl)-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

7-(3-amino-3-methylazetidin-1-yl)-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 338.31 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-amino-3-methylazetidin-1-yl)-6-fluoro-1-(2-fluoroethyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 10472289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).