methyl 2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate

C13H14N2O3 — CID 66602450

IUPACmethyl 2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCOCc1nc2nc(C)ccc2cc1C(=O)OC
InChIInChI=1S/C13H14N2O3/c1-8-4-5-9-6-10(13(16)18-3)11(7-17-2)15-12(9)14-8/h4-6H,7H2,1-3H3
InChIKeyMNWCIKANKSVZHO-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.87
Rot. Bonds3

About methyl 2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate

methyl 2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 66602450) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID66602450
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCOCc1nc2nc(C)ccc2cc1C(=O)OC
InChIInChI=1S/C13H14N2O3/c1-8-4-5-9-6-10(13(16)18-3)11(7-17-2)15-12(9)14-8/h4-6H,7H2,1-3H3
InChIKeyMNWCIKANKSVZHO-UHFFFAOYSA-N
XLogP1.87
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of methyl 2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate (CID 66602450) is methyl 2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate is COCc1nc2nc(C)ccc2cc1C(=O)OC.
What is the InChIKey of methyl 2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is MNWCIKANKSVZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-4-5-9-6-10(13(16)18-3)11(7-17-2)15-12(9)14-8/h4-6H,7H2,1-3H3.
What are the key properties of methyl 2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate?
methyl 2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 66602450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).