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

C14H13FN4O3 — CID 13402001

IUPAC7-(3-aminoazetidin-1-yl)-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESC=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC(N)C3)nc21
InChIInChI=1S/C14H13FN4O3/c1-2-18-6-9(14(21)22)11(20)8-3-10(15)13(17-12(8)18)19-4-7(16)5-19/h2-3,6-7H,1,4-5,16H2,(H,21,22)
InChIKeyBRXQDBJZPOBZTC-UHFFFAOYSA-N
MW304.28 g/mol
LogP0.48
Rot. Bonds3

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

7-(3-aminoazetidin-1-yl)-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 13402001) has the molecular formula C14H13FN4O3 and a molecular weight of 304.28 g/mol. Its IUPAC name is 7-(3-aminoazetidin-1-yl)-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(3-aminoazetidin-1-yl)-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID13402001
Molecular FormulaC14H13FN4O3
Molecular Weight304.28 g/mol
Exact Mass304.10
IUPAC Name7-(3-aminoazetidin-1-yl)-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESC=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC(N)C3)nc21
InChIInChI=1S/C14H13FN4O3/c1-2-18-6-9(14(21)22)11(20)8-3-10(15)13(17-12(8)18)19-4-7(16)5-19/h2-3,6-7H,1,4-5,16H2,(H,21,22)
InChIKeyBRXQDBJZPOBZTC-UHFFFAOYSA-N
XLogP0.48
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3-aminoazetidin-1-yl)-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-(3-aminoazetidin-1-yl)-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 13402001) is 7-(3-aminoazetidin-1-yl)-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-(3-aminoazetidin-1-yl)-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-(3-aminoazetidin-1-yl)-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is C=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC(N)C3)nc21.
What is the InChIKey of 7-(3-aminoazetidin-1-yl)-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is BRXQDBJZPOBZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O3/c1-2-18-6-9(14(21)22)11(20)8-3-10(15)13(17-12(8)18)19-4-7(16)5-19/h2-3,6-7H,1,4-5,16H2,(H,21,22).
What are the key properties of 7-(3-aminoazetidin-1-yl)-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
7-(3-aminoazetidin-1-yl)-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 304.28 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminoazetidin-1-yl)-1-ethenyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 13402001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).