4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid

C14H16N2O3 — CID 23636390

IUPAC4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid
SMILESCCCCCn1cc(C(=O)O)c(=O)c2cccnc21
InChIInChI=1S/C14H16N2O3/c1-2-3-4-8-16-9-11(14(18)19)12(17)10-6-5-7-15-13(10)16/h5-7,9H,2-4,8H2,1H3,(H,18,19)
InChIKeyATWXLOVMBAXZJS-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.28
Rot. Bonds5

About 4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid

4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid (PubChem CID 23636390) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid
PubChem CID23636390
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid
SMILESCCCCCn1cc(C(=O)O)c(=O)c2cccnc21
InChIInChI=1S/C14H16N2O3/c1-2-3-4-8-16-9-11(14(18)19)12(17)10-6-5-7-15-13(10)16/h5-7,9H,2-4,8H2,1H3,(H,18,19)
InChIKeyATWXLOVMBAXZJS-UHFFFAOYSA-N
XLogP2.28
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid (CID 23636390) is 4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid is CCCCCn1cc(C(=O)O)c(=O)c2cccnc21.
What is the InChIKey of 4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is ATWXLOVMBAXZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-3-4-8-16-9-11(14(18)19)12(17)10-6-5-7-15-13(10)16/h5-7,9H,2-4,8H2,1H3,(H,18,19).
What are the key properties of 4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid?
4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 23636390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).