methyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate

C11H10N2O3 — CID 102941635

IUPACmethyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c2c(C)nccc2c1=O
InChIInChI=1S/C11H10N2O3/c1-6-9-7(3-4-12-6)10(14)8(5-13-9)11(15)16-2/h3-5H,1-2H3,(H,13,14)
InChIKeyGFBQJEVFNCVSCR-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.02
Rot. Bonds1

About methyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate

methyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate (PubChem CID 102941635) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is methyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate
PubChem CID102941635
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Namemethyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c2c(C)nccc2c1=O
InChIInChI=1S/C11H10N2O3/c1-6-9-7(3-4-12-6)10(14)8(5-13-9)11(15)16-2/h3-5H,1-2H3,(H,13,14)
InChIKeyGFBQJEVFNCVSCR-UHFFFAOYSA-N
XLogP1.02
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-iodo-8-methyl-1H-1,7-naphthyridin-4-one
CID 102941594
methyl 6-iodo-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 102941642
methyl 4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 74890548
methyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate
CID 115050494
dimethyl 3-methoxy-4-oxo-1H-pyridine-2,5-dicarboxylate
CID 126633344
methyl 3-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 124705864
methyl 3-bromo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate
CID 71472793
methyl 3-bromo-4-oxo-1H-quinoline-8-carboxylate
CID 71711059
methyl 2-methylpyridine-3-carboxylate
CID 7015327
methyl 2-(7-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate
CID 87288420
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
ethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate
CID 86732817

Frequently Asked Questions

What is the IUPAC name of methyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate?
The IUPAC name of methyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate (CID 102941635) is methyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate is COC(=O)c1c[nH]c2c(C)nccc2c1=O.
What is the InChIKey of methyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate?
The InChIKey is GFBQJEVFNCVSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6-9-7(3-4-12-6)10(14)8(5-13-9)11(15)16-2/h3-5H,1-2H3,(H,13,14).
What are the key properties of methyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate?
methyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate is sourced from PubChem (CID 102941635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).