ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate

C13H15N3O4 — CID 90120654

IUPACethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2ncc(ON)cc2c1=O
InChIInChI=1S/C13H15N3O4/c1-3-16-7-10(13(18)19-4-2)11(17)9-5-8(20-14)6-15-12(9)16/h5-7H,3-4,14H2,1-2H3
InChIKeyLRGSMPRFDNQVJV-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.85
Rot. Bonds4

About ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate

ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 90120654) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID90120654
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Nameethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2ncc(ON)cc2c1=O
InChIInChI=1S/C13H15N3O4/c1-3-16-7-10(13(18)19-4-2)11(17)9-5-8(20-14)6-15-12(9)16/h5-7H,3-4,14H2,1-2H3
InChIKeyLRGSMPRFDNQVJV-UHFFFAOYSA-N
XLogP0.85
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(6-ethoxycarbonyl-8-ethyl-5-oxo-1,8-naphthyridin-3-yl)boronic acid
CID 140944007
6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid;ethyl 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate;methane;hydrofluoride
CID 163666721
ethyl 8-ethyl-3-methanidyl-5-oxopyrido[2,3-c]pyridazine-6-carboxylate;yttrium(3+)
CID 20794343
ethyl 6-amino-1-ethyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxylate
CID 13041126
3-hydroxypropyl 6-bromo-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 68750807
ethyl 7-ethenyl-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 15636889
ethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate
CID 15414746
ethyl 8-ethyl-5-oxo-2-pyridin-4-ylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 12847897
[6-ethoxycarbonyl-5-oxo-8-(pyridin-4-ylmethyl)-1,8-naphthyridin-3-yl]boronic acid
CID 140943983
ethyl 8-ethyl-5-oxo-2-pyridin-3-ylpyrido[2,3-d]pyrimidine-6-carboxylate
CID 12847896
ethyl 6-[(2,6-dichloro-4-pyridinyl)amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 11223923
6-chloro-1-ethyl-4-oxo-1,7-naphthyridine-3-carboxylic acid;ethyl 6-chloro-1-ethyl-4-oxo-1,7-naphthyridine-3-carboxylate;methane;phosphane
CID 163541939

Frequently Asked Questions

What is the IUPAC name of ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 90120654) is ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(CC)c2ncc(ON)cc2c1=O.
What is the InChIKey of ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is LRGSMPRFDNQVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-3-16-7-10(13(18)19-4-2)11(17)9-5-8(20-14)6-15-12(9)16/h5-7H,3-4,14H2,1-2H3.
What are the key properties of ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 277.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-aminooxy-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 90120654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).