methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate

C13H14N2O4 — CID 43864511

IUPACmethyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(=O)n(CCO)ccc2nc1C
InChIInChI=1S/C13H14N2O4/c1-8-9(13(18)19-2)7-10-11(14-8)3-4-15(5-6-16)12(10)17/h3-4,7,16H,5-6H2,1-2H3
InChIKeyZEEUSMJZEXQGJB-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.48
Rot. Bonds3

About methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate

methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate (PubChem CID 43864511) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
PubChem CID43864511
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Namemethyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(=O)n(CCO)ccc2nc1C
InChIInChI=1S/C13H14N2O4/c1-8-9(13(18)19-2)7-10-11(14-8)3-4-15(5-6-16)12(10)17/h3-4,7,16H,5-6H2,1-2H3
InChIKeyZEEUSMJZEXQGJB-UHFFFAOYSA-N
XLogP0.48
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate 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 methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The IUPAC name of methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate (CID 43864511) is methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate is COC(=O)c1cc2c(=O)n(CCO)ccc2nc1C.
What is the InChIKey of methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
The InChIKey is ZEEUSMJZEXQGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8-9(13(18)19-2)7-10-11(14-8)3-4-15(5-6-16)12(10)17/h3-4,7,16H,5-6H2,1-2H3.
What are the key properties of methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate?
methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate has a molecular weight of 262.26 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 43864511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).