methyl 8-methoxy-6-methyl-5H-1,6-naphthyridine-7-carboxylate

C12H14N2O3 — CID 68896178

IUPACmethyl 8-methoxy-6-methyl-5H-1,6-naphthyridine-7-carboxylate
SMILESCOC(=O)C1=C(OC)c2ncccc2CN1C
InChIInChI=1S/C12H14N2O3/c1-14-7-8-5-4-6-13-9(8)11(16-2)10(14)12(15)17-3/h4-6H,7H2,1-3H3
InChIKeyMYMBVORFQATVGO-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.01
Rot. Bonds2

About methyl 8-methoxy-6-methyl-5H-1,6-naphthyridine-7-carboxylate

methyl 8-methoxy-6-methyl-5H-1,6-naphthyridine-7-carboxylate (PubChem CID 68896178) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl 8-methoxy-6-methyl-5H-1,6-naphthyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 8-methoxy-6-methyl-5H-1,6-naphthyridine-7-carboxylate
PubChem CID68896178
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namemethyl 8-methoxy-6-methyl-5H-1,6-naphthyridine-7-carboxylate
SMILESCOC(=O)C1=C(OC)c2ncccc2CN1C
InChIInChI=1S/C12H14N2O3/c1-14-7-8-5-4-6-13-9(8)11(16-2)10(14)12(15)17-3/h4-6H,7H2,1-3H3
InChIKeyMYMBVORFQATVGO-UHFFFAOYSA-N
XLogP1.01
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 8-methoxy-6-methyl-5H-1,6-naphthyridine-7-carboxylate?
The IUPAC name of methyl 8-methoxy-6-methyl-5H-1,6-naphthyridine-7-carboxylate (CID 68896178) is methyl 8-methoxy-6-methyl-5H-1,6-naphthyridine-7-carboxylate.
What is the SMILES notation for methyl 8-methoxy-6-methyl-5H-1,6-naphthyridine-7-carboxylate?
The canonical SMILES for methyl 8-methoxy-6-methyl-5H-1,6-naphthyridine-7-carboxylate is COC(=O)C1=C(OC)c2ncccc2CN1C.
What is the InChIKey of methyl 8-methoxy-6-methyl-5H-1,6-naphthyridine-7-carboxylate?
The InChIKey is MYMBVORFQATVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-14-7-8-5-4-6-13-9(8)11(16-2)10(14)12(15)17-3/h4-6H,7H2,1-3H3.
What are the key properties of methyl 8-methoxy-6-methyl-5H-1,6-naphthyridine-7-carboxylate?
methyl 8-methoxy-6-methyl-5H-1,6-naphthyridine-7-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methoxy-6-methyl-5H-1,6-naphthyridine-7-carboxylate is sourced from PubChem (CID 68896178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).