methyl 6-methyl-5-oxo-2,6-naphthyridine-3-carboxylate

C11H10N2O3 — CID 154671680

IUPACmethyl 6-methyl-5-oxo-2,6-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(=O)n(C)ccc2cn1
InChIInChI=1S/C11H10N2O3/c1-13-4-3-7-6-12-9(11(15)16-2)5-8(7)10(13)14/h3-6H,1-2H3
InChIKeyLPWIYFSUMUZJQP-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.72
Rot. Bonds1

About methyl 6-methyl-5-oxo-2,6-naphthyridine-3-carboxylate

methyl 6-methyl-5-oxo-2,6-naphthyridine-3-carboxylate (PubChem CID 154671680) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is methyl 6-methyl-5-oxo-2,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-5-oxo-2,6-naphthyridine-3-carboxylate
PubChem CID154671680
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Namemethyl 6-methyl-5-oxo-2,6-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cc2c(=O)n(C)ccc2cn1
InChIInChI=1S/C11H10N2O3/c1-13-4-3-7-6-12-9(11(15)16-2)5-8(7)10(13)14/h3-6H,1-2H3
InChIKeyLPWIYFSUMUZJQP-UHFFFAOYSA-N
XLogP0.72
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-hydroxyisoquinoline-3-carboxylate
CID 131582448
ethane;methyl isoquinoline-3-carboxylate
CID 123724655
methyl 3-iodo-1-methylpyrrolo[3,2-c]pyridine-6-carboxylate
CID 154725458
sulfanyl 1-methylpyrrolo[2,3-c]pyridine-5-carboxylate
CID 88592082
methyl 1-methyl-6-oxopyrimidine-4-carboxylate
CID 141087181
methyl 6-methylisoquinoline-3-carboxylate
CID 22243644
methyl 7-hydroxyisoquinoline-3-carboxylate
CID 53419788
dimethyl isoquinoline-3,6-dicarboxylate
CID 155973058
methyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate
CID 123342113
1-(1-methylpyrrolo[3,2-c]pyridin-6-yl)ethanone
CID 154728046
methyl 3-benzyl-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidine-6-carboxylate
CID 59926336
methyl 8-methoxyisoquinoline-3-carboxylate
CID 66940406

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-5-oxo-2,6-naphthyridine-3-carboxylate?
The IUPAC name of methyl 6-methyl-5-oxo-2,6-naphthyridine-3-carboxylate (CID 154671680) is methyl 6-methyl-5-oxo-2,6-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 6-methyl-5-oxo-2,6-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 6-methyl-5-oxo-2,6-naphthyridine-3-carboxylate is COC(=O)c1cc2c(=O)n(C)ccc2cn1.
What is the InChIKey of methyl 6-methyl-5-oxo-2,6-naphthyridine-3-carboxylate?
The InChIKey is LPWIYFSUMUZJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-13-4-3-7-6-12-9(11(15)16-2)5-8(7)10(13)14/h3-6H,1-2H3.
What are the key properties of methyl 6-methyl-5-oxo-2,6-naphthyridine-3-carboxylate?
methyl 6-methyl-5-oxo-2,6-naphthyridine-3-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-5-oxo-2,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 154671680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).