methyl 2-(1-methoxy-2-methyl-4-oxoquinolin-3-yl)-2-oxoacetate

C14H13NO5 — CID 13090171

IUPACmethyl 2-(1-methoxy-2-methyl-4-oxoquinolin-3-yl)-2-oxoacetate
SMILESCOC(=O)C(=O)c1c(C)n(OC)c2ccccc2c1=O
InChIInChI=1S/C14H13NO5/c1-8-11(13(17)14(18)19-2)12(16)9-6-4-5-7-10(9)15(8)20-3/h4-7H,1-3H3
InChIKeyBMLSDIYXWCUGBF-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.72
Rot. Bonds3

About methyl 2-(1-methoxy-2-methyl-4-oxoquinolin-3-yl)-2-oxoacetate

methyl 2-(1-methoxy-2-methyl-4-oxoquinolin-3-yl)-2-oxoacetate (PubChem CID 13090171) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is methyl 2-(1-methoxy-2-methyl-4-oxoquinolin-3-yl)-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-(1-methoxy-2-methyl-4-oxoquinolin-3-yl)-2-oxoacetate
PubChem CID13090171
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Namemethyl 2-(1-methoxy-2-methyl-4-oxoquinolin-3-yl)-2-oxoacetate
SMILESCOC(=O)C(=O)c1c(C)n(OC)c2ccccc2c1=O
InChIInChI=1S/C14H13NO5/c1-8-11(13(17)14(18)19-2)12(16)9-6-4-5-7-10(9)15(8)20-3/h4-7H,1-3H3
InChIKeyBMLSDIYXWCUGBF-UHFFFAOYSA-N
XLogP0.72
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methoxy-3-methyl-1-oxoisoquinoline-4-carboxylate
CID 132525931
1,2,3-trimethoxyquinolin-4-one
CID 174279293
methyl 2-(1-methoxyindol-3-yl)-2-oxoacetate
CID 11128197
methyl 1-methoxy-2-[(E)-prop-1-enyl]indole-3-carboxylate
CID 101259134
1-methoxy-3,1-benzoxazine-2,4-dione
CID 140665650
methyl 2-(1-benzoyl-2-methylindolizin-3-yl)-2-oxoacetate
CID 69122341
methyl 2-methoxy-1,5-dioxopyrrolo[1,2-a]quinoline-4-carboxylate
CID 162983908
methyl 2-(1-ethoxyindol-3-yl)-2-oxoacetate
CID 11831748
ethyl 5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carboxylate
CID 122523532
2-hydroxy-1-methoxyindole-3-carbaldehyde
CID 137263288
methyl 2-[1-(1-benzothiophen-3-yl)indol-3-yl]-2-oxoacetate
CID 22591974
3-iodo-2-methyl-1-propan-2-ylquinolin-4-one
CID 176548683

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methoxy-2-methyl-4-oxoquinolin-3-yl)-2-oxoacetate?
The IUPAC name of methyl 2-(1-methoxy-2-methyl-4-oxoquinolin-3-yl)-2-oxoacetate (CID 13090171) is methyl 2-(1-methoxy-2-methyl-4-oxoquinolin-3-yl)-2-oxoacetate.
What is the SMILES notation for methyl 2-(1-methoxy-2-methyl-4-oxoquinolin-3-yl)-2-oxoacetate?
The canonical SMILES for methyl 2-(1-methoxy-2-methyl-4-oxoquinolin-3-yl)-2-oxoacetate is COC(=O)C(=O)c1c(C)n(OC)c2ccccc2c1=O.
What is the InChIKey of methyl 2-(1-methoxy-2-methyl-4-oxoquinolin-3-yl)-2-oxoacetate?
The InChIKey is BMLSDIYXWCUGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-8-11(13(17)14(18)19-2)12(16)9-6-4-5-7-10(9)15(8)20-3/h4-7H,1-3H3.
What are the key properties of methyl 2-(1-methoxy-2-methyl-4-oxoquinolin-3-yl)-2-oxoacetate?
methyl 2-(1-methoxy-2-methyl-4-oxoquinolin-3-yl)-2-oxoacetate has a molecular weight of 275.26 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methoxy-2-methyl-4-oxoquinolin-3-yl)-2-oxoacetate is sourced from PubChem (CID 13090171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).