methyl 2-(methoxymethyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxylate

C12H14N2O4 — CID 141442004

IUPACmethyl 2-(methoxymethyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxylate
SMILESCOCc1nc2c(cc1C(=O)OC)C(=O)NCC2
InChIInChI=1S/C12H14N2O4/c1-17-6-10-8(12(16)18-2)5-7-9(14-10)3-4-13-11(7)15/h5H,3-4,6H2,1-2H3,(H,13,15)
InChIKeyRSJHDYUUKRTEIO-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.30
Rot. Bonds3

About methyl 2-(methoxymethyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxylate

methyl 2-(methoxymethyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxylate (PubChem CID 141442004) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is methyl 2-(methoxymethyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(methoxymethyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxylate
PubChem CID141442004
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Namemethyl 2-(methoxymethyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxylate
SMILESCOCc1nc2c(cc1C(=O)OC)C(=O)NCC2
InChIInChI=1S/C12H14N2O4/c1-17-6-10-8(12(16)18-2)5-7-9(14-10)3-4-13-11(7)15/h5H,3-4,6H2,1-2H3,(H,13,15)
InChIKeyRSJHDYUUKRTEIO-UHFFFAOYSA-N
XLogP0.30
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 7-methoxy-1-oxo-3,4-dihydro-2H-isoquinoline-5-carboxylate
CID 66973477
methyl 2-propyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate
CID 141442013
methyl 2-(methoxymethyl)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 66602450
methyl 2-amino-4-(methoxymethyl)pyrimidine-5-carboxylate
CID 14639204
methyl 6-ethyl-1,1,4-trioxo-2,3-dihydro-1λ6,3-benzothiazine-7-carboxylate
CID 19354987
methyl 6-methyl-1,1,4-trioxo-2,3-dihydro-1λ6,3-benzothiazine-7-carboxylate
CID 19355146
methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 1475272
2-(phenoxymethyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 90645513
2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-yl)-7,8-dihydro-6H-1,6-naphthyridin-5-one
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methyl 2-[(4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-1-yl)methyl]benzoate
CID 153327251
methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 82402887
methyl 3-(methoxymethyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)pyrazole-4-carboxylate;hydrochloride
CID 162779169

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methoxymethyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxylate?
The IUPAC name of methyl 2-(methoxymethyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxylate (CID 141442004) is methyl 2-(methoxymethyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(methoxymethyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 2-(methoxymethyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxylate is COCc1nc2c(cc1C(=O)OC)C(=O)NCC2.
What is the InChIKey of methyl 2-(methoxymethyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxylate?
The InChIKey is RSJHDYUUKRTEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-17-6-10-8(12(16)18-2)5-7-9(14-10)3-4-13-11(7)15/h5H,3-4,6H2,1-2H3,(H,13,15).
What are the key properties of methyl 2-(methoxymethyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxylate?
methyl 2-(methoxymethyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxylate has a molecular weight of 250.25 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methoxymethyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 141442004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).