methyl 7-methoxy-1-oxido-1,5-naphthyridin-1-ium-4-carboxylate

C11H10N2O4 — CID 169002932

IUPACmethyl 7-methoxy-1-oxido-1,5-naphthyridin-1-ium-4-carboxylate
SMILESCOC(=O)c1cc[n+]([O-])c2cc(OC)cnc12
InChIInChI=1S/C11H10N2O4/c1-16-7-5-9-10(12-6-7)8(11(14)17-2)3-4-13(9)15/h3-6H,1-2H3
InChIKeySCVRCZDKVGVAEJ-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.66
Rot. Bonds2

About methyl 7-methoxy-1-oxido-1,5-naphthyridin-1-ium-4-carboxylate

methyl 7-methoxy-1-oxido-1,5-naphthyridin-1-ium-4-carboxylate (PubChem CID 169002932) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is methyl 7-methoxy-1-oxido-1,5-naphthyridin-1-ium-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-1-oxido-1,5-naphthyridin-1-ium-4-carboxylate
PubChem CID169002932
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Namemethyl 7-methoxy-1-oxido-1,5-naphthyridin-1-ium-4-carboxylate
SMILESCOC(=O)c1cc[n+]([O-])c2cc(OC)cnc12
InChIInChI=1S/C11H10N2O4/c1-16-7-5-9-10(12-6-7)8(11(14)17-2)3-4-13(9)15/h3-6H,1-2H3
InChIKeySCVRCZDKVGVAEJ-UHFFFAOYSA-N
XLogP0.66
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze methyl 7-methoxy-1-oxido-1,5-naphthyridin-1-ium-4-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 7-methoxy-1-oxido-1,5-naphthyridin-1-ium-4-carboxylate?
The IUPAC name of methyl 7-methoxy-1-oxido-1,5-naphthyridin-1-ium-4-carboxylate (CID 169002932) is methyl 7-methoxy-1-oxido-1,5-naphthyridin-1-ium-4-carboxylate.
What is the SMILES notation for methyl 7-methoxy-1-oxido-1,5-naphthyridin-1-ium-4-carboxylate?
The canonical SMILES for methyl 7-methoxy-1-oxido-1,5-naphthyridin-1-ium-4-carboxylate is COC(=O)c1cc[n+]([O-])c2cc(OC)cnc12.
What is the InChIKey of methyl 7-methoxy-1-oxido-1,5-naphthyridin-1-ium-4-carboxylate?
The InChIKey is SCVRCZDKVGVAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-16-7-5-9-10(12-6-7)8(11(14)17-2)3-4-13(9)15/h3-6H,1-2H3.
What are the key properties of methyl 7-methoxy-1-oxido-1,5-naphthyridin-1-ium-4-carboxylate?
methyl 7-methoxy-1-oxido-1,5-naphthyridin-1-ium-4-carboxylate has a molecular weight of 234.21 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-1-oxido-1,5-naphthyridin-1-ium-4-carboxylate is sourced from PubChem (CID 169002932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).