ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate

C15H17FN4O3 — CID 10403713

IUPACethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2nc(N3CCC(N)C3)c(F)cc2c1=O
InChIInChI=1S/C15H17FN4O3/c1-2-23-15(22)10-6-18-13-9(12(10)21)5-11(16)14(19-13)20-4-3-8(17)7-20/h5-6,8H,2-4,7,17H2,1H3,(H,18,19,21)
InChIKeyUORFOCQEQAWUJC-UHFFFAOYSA-N
MW320.32 g/mol
LogP0.78
Rot. Bonds3

About ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate

ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate (PubChem CID 10403713) has the molecular formula C15H17FN4O3 and a molecular weight of 320.32 g/mol. Its IUPAC name is ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate
PubChem CID10403713
Molecular FormulaC15H17FN4O3
Molecular Weight320.32 g/mol
Exact Mass320.13
IUPAC Nameethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2nc(N3CCC(N)C3)c(F)cc2c1=O
InChIInChI=1S/C15H17FN4O3/c1-2-23-15(22)10-6-18-13-9(12(10)21)5-11(16)14(19-13)20-4-3-8(17)7-20/h5-6,8H,2-4,7,17H2,1H3,(H,18,19,21)
InChIKeyUORFOCQEQAWUJC-UHFFFAOYSA-N
XLogP0.78
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate (CID 10403713) is ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c[nH]c2nc(N3CCC(N)C3)c(F)cc2c1=O.
What is the InChIKey of ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate?
The InChIKey is UORFOCQEQAWUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O3/c1-2-23-15(22)10-6-18-13-9(12(10)21)5-11(16)14(19-13)20-4-3-8(17)7-20/h5-6,8H,2-4,7,17H2,1H3,(H,18,19,21).
What are the key properties of ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate?
ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate has a molecular weight of 320.32 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 10403713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).