ethyl 4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxylate

C11H10N2O4 — CID 54731416

IUPACethyl 4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cccnc2[nH]c1=O
InChIInChI=1S/C11H10N2O4/c1-2-17-11(16)7-8(14)6-4-3-5-12-9(6)13-10(7)15/h3-5H,2H2,1H3,(H2,12,13,14,15)
InChIKeyHOHNPZFKJNMKDE-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.81
Rot. Bonds2

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

ethyl 4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxylate (PubChem CID 54731416) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxylate
PubChem CID54731416
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Nameethyl 4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cccnc2[nH]c1=O
InChIInChI=1S/C11H10N2O4/c1-2-17-11(16)7-8(14)6-4-3-5-12-9(6)13-10(7)15/h3-5H,2H2,1H3,(H2,12,13,14,15)
InChIKeyHOHNPZFKJNMKDE-UHFFFAOYSA-N
XLogP0.81
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxylate (CID 54731416) is ethyl 4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(O)c2cccnc2[nH]c1=O.
What is the InChIKey of ethyl 4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxylate?
The InChIKey is HOHNPZFKJNMKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-2-17-11(16)7-8(14)6-4-3-5-12-9(6)13-10(7)15/h3-5H,2H2,1H3,(H2,12,13,14,15).
What are the key properties of ethyl 4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxylate?
ethyl 4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxylate has a molecular weight of 234.21 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 54731416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).