ethyl 1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate

C11H10N2O5 — CID 54734970

IUPACethyl 1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cccnc2n(O)c1=O
InChIInChI=1S/C11H10N2O5/c1-2-18-11(16)7-8(14)6-4-3-5-12-9(6)13(17)10(7)15/h3-5,14,17H,2H2,1H3
InChIKeyFEJQTVAEPDWTLQ-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.52
Rot. Bonds2

About ethyl 1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate

ethyl 1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 54734970) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is ethyl 1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID54734970
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Nameethyl 1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cccnc2n(O)c1=O
InChIInChI=1S/C11H10N2O5/c1-2-18-11(16)7-8(14)6-4-3-5-12-9(6)13(17)10(7)15/h3-5,14,17H,2H2,1H3
InChIKeyFEJQTVAEPDWTLQ-UHFFFAOYSA-N
XLogP0.52
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate (CID 54734970) is ethyl 1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(O)c2cccnc2n(O)c1=O.
What is the InChIKey of ethyl 1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is FEJQTVAEPDWTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c1-2-18-11(16)7-8(14)6-4-3-5-12-9(6)13(17)10(7)15/h3-5,14,17H,2H2,1H3.
What are the key properties of ethyl 1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 250.21 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 54734970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).