6-fluoro-1-heptan-3-yl-4-oxo-1,8-naphthyridine-3-carboxylic acid

C16H19FN2O3 — CID 22440980

IUPAC6-fluoro-1-heptan-3-yl-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCCCC(CC)n1cc(C(=O)O)c(=O)c2cc(F)cnc21
InChIInChI=1S/C16H19FN2O3/c1-3-5-6-11(4-2)19-9-13(16(21)22)14(20)12-7-10(17)8-18-15(12)19/h7-9,11H,3-6H2,1-2H3,(H,21,22)
InChIKeyKPOBUORKLRDMMC-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.38
Rot. Bonds6

About 6-fluoro-1-heptan-3-yl-4-oxo-1,8-naphthyridine-3-carboxylic acid

6-fluoro-1-heptan-3-yl-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 22440980) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 6-fluoro-1-heptan-3-yl-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1-heptan-3-yl-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID22440980
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name6-fluoro-1-heptan-3-yl-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCCCC(CC)n1cc(C(=O)O)c(=O)c2cc(F)cnc21
InChIInChI=1S/C16H19FN2O3/c1-3-5-6-11(4-2)19-9-13(16(21)22)14(20)12-7-10(17)8-18-15(12)19/h7-9,11H,3-6H2,1-2H3,(H,21,22)
InChIKeyKPOBUORKLRDMMC-UHFFFAOYSA-N
XLogP3.38
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-1-heptan-3-yl-4-oxo-1,8-naphthyridine-3-carboxylic acid 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 6-fluoro-1-heptan-3-yl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-fluoro-1-heptan-3-yl-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 22440980) is 6-fluoro-1-heptan-3-yl-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-1-heptan-3-yl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-fluoro-1-heptan-3-yl-4-oxo-1,8-naphthyridine-3-carboxylic acid is CCCCC(CC)n1cc(C(=O)O)c(=O)c2cc(F)cnc21.
What is the InChIKey of 6-fluoro-1-heptan-3-yl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is KPOBUORKLRDMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-3-5-6-11(4-2)19-9-13(16(21)22)14(20)12-7-10(17)8-18-15(12)19/h7-9,11H,3-6H2,1-2H3,(H,21,22).
What are the key properties of 6-fluoro-1-heptan-3-yl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
6-fluoro-1-heptan-3-yl-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-heptan-3-yl-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 22440980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).