1-ethyl-6-fluoro-7-(3-methoxyazetidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

C15H16FN3O4 — CID 13401997

IUPAC1-ethyl-6-fluoro-7-(3-methoxyazetidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC(OC)C3)nc21
InChIInChI=1S/C15H16FN3O4/c1-3-18-7-10(15(21)22)12(20)9-4-11(16)14(17-13(9)18)19-5-8(6-19)23-2/h4,7-8H,3,5-6H2,1-2H3,(H,21,22)
InChIKeyMHYBYPZTVWJNNB-UHFFFAOYSA-N
MW321.31 g/mol
LogP1.09
Rot. Bonds4

About 1-ethyl-6-fluoro-7-(3-methoxyazetidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

1-ethyl-6-fluoro-7-(3-methoxyazetidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 13401997) has the molecular formula C15H16FN3O4 and a molecular weight of 321.31 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-7-(3-methoxyazetidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-6-fluoro-7-(3-methoxyazetidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID13401997
Molecular FormulaC15H16FN3O4
Molecular Weight321.31 g/mol
Exact Mass321.11
IUPAC Name1-ethyl-6-fluoro-7-(3-methoxyazetidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC(OC)C3)nc21
InChIInChI=1S/C15H16FN3O4/c1-3-18-7-10(15(21)22)12(20)9-4-11(16)14(17-13(9)18)19-5-8(6-19)23-2/h4,7-8H,3,5-6H2,1-2H3,(H,21,22)
InChIKeyMHYBYPZTVWJNNB-UHFFFAOYSA-N
XLogP1.09
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-7-(3-methoxyazetidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-ethyl-6-fluoro-7-(3-methoxyazetidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 13401997) is 1-ethyl-6-fluoro-7-(3-methoxyazetidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-6-fluoro-7-(3-methoxyazetidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-ethyl-6-fluoro-7-(3-methoxyazetidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC(OC)C3)nc21.
What is the InChIKey of 1-ethyl-6-fluoro-7-(3-methoxyazetidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is MHYBYPZTVWJNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O4/c1-3-18-7-10(15(21)22)12(20)9-4-11(16)14(17-13(9)18)19-5-8(6-19)23-2/h4,7-8H,3,5-6H2,1-2H3,(H,21,22).
What are the key properties of 1-ethyl-6-fluoro-7-(3-methoxyazetidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
1-ethyl-6-fluoro-7-(3-methoxyazetidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 321.31 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-7-(3-methoxyazetidin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 13401997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).