1-ethyl-6-fluoro-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid

C15H16FN3O3 — CID 13041139

IUPAC1-ethyl-6-fluoro-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCCC3)nc21
InChIInChI=1S/C15H16FN3O3/c1-2-18-8-10(15(21)22)12(20)9-7-11(16)14(17-13(9)18)19-5-3-4-6-19/h7-8H,2-6H2,1H3,(H,21,22)
InChIKeyDVGQZGSRNOYAGE-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.85
Rot. Bonds3

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

1-ethyl-6-fluoro-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid (PubChem CID 13041139) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-6-fluoro-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid
PubChem CID13041139
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name1-ethyl-6-fluoro-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCCC3)nc21
InChIInChI=1S/C15H16FN3O3/c1-2-18-8-10(15(21)22)12(20)9-7-11(16)14(17-13(9)18)19-5-3-4-6-19/h7-8H,2-6H2,1H3,(H,21,22)
InChIKeyDVGQZGSRNOYAGE-UHFFFAOYSA-N
XLogP1.85
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-ethyl-6-fluoro-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid (CID 13041139) is 1-ethyl-6-fluoro-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-6-fluoro-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-ethyl-6-fluoro-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCCC3)nc21.
What is the InChIKey of 1-ethyl-6-fluoro-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is DVGQZGSRNOYAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-2-18-8-10(15(21)22)12(20)9-7-11(16)14(17-13(9)18)19-5-3-4-6-19/h7-8H,2-6H2,1H3,(H,21,22).
What are the key properties of 1-ethyl-6-fluoro-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid?
1-ethyl-6-fluoro-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 305.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-4-oxo-7-pyrrolidin-1-yl-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 13041139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).