4-ethyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid

C13H13N3O4 — CID 11673508

IUPAC4-ethyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid
SMILESCCN1CCOc2cc3c(=O)c(C(=O)O)c[nH]c3nc21
InChIInChI=1S/C13H13N3O4/c1-2-16-3-4-20-9-5-7-10(17)8(13(18)19)6-14-11(7)15-12(9)16/h5-6H,2-4H2,1H3,(H,18,19)(H,14,15,17)
InChIKeyDTTHOSFBTQXSDR-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.84
Rot. Bonds2

About 4-ethyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid

4-ethyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid (PubChem CID 11673508) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 4-ethyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid
PubChem CID11673508
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name4-ethyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid
SMILESCCN1CCOc2cc3c(=O)c(C(=O)O)c[nH]c3nc21
InChIInChI=1S/C13H13N3O4/c1-2-16-3-4-20-9-5-7-10(17)8(13(18)19)6-14-11(7)15-12(9)16/h5-6H,2-4H2,1H3,(H,18,19)(H,14,15,17)
InChIKeyDTTHOSFBTQXSDR-UHFFFAOYSA-N
XLogP0.84
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-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 4-ethyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid?
The IUPAC name of 4-ethyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid (CID 11673508) is 4-ethyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 4-ethyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid?
The canonical SMILES for 4-ethyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid is CCN1CCOc2cc3c(=O)c(C(=O)O)c[nH]c3nc21.
What is the InChIKey of 4-ethyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid?
The InChIKey is DTTHOSFBTQXSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-2-16-3-4-20-9-5-7-10(17)8(13(18)19)6-14-11(7)15-12(9)16/h5-6H,2-4H2,1H3,(H,18,19)(H,14,15,17).
What are the key properties of 4-ethyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid?
4-ethyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 11673508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).