dimethyl 4-oxo-6H-quinoline-2,6-dicarboxylate

C13H11NO5 — CID 73307025

IUPACdimethyl 4-oxo-6H-quinoline-2,6-dicarboxylate
SMILESCOC(=O)C1=CC(=O)C2=CC(C(=O)OC)C=CC2=N1
InChIInChI=1S/C13H11NO5/c1-18-12(16)7-3-4-9-8(5-7)11(15)6-10(14-9)13(17)19-2/h3-7H,1-2H3
InChIKeyXUNRHPKJTDRDGF-UHFFFAOYSA-N
MW261.23 g/mol
LogP0.35
Rot. Bonds2

About dimethyl 4-oxo-6H-quinoline-2,6-dicarboxylate

dimethyl 4-oxo-6H-quinoline-2,6-dicarboxylate (PubChem CID 73307025) has the molecular formula C13H11NO5 and a molecular weight of 261.23 g/mol. Its IUPAC name is dimethyl 4-oxo-6H-quinoline-2,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-oxo-6H-quinoline-2,6-dicarboxylate
PubChem CID73307025
Molecular FormulaC13H11NO5
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Namedimethyl 4-oxo-6H-quinoline-2,6-dicarboxylate
SMILESCOC(=O)C1=CC(=O)C2=CC(C(=O)OC)C=CC2=N1
InChIInChI=1S/C13H11NO5/c1-18-12(16)7-3-4-9-8(5-7)11(15)6-10(14-9)13(17)19-2/h3-7H,1-2H3
InChIKeyXUNRHPKJTDRDGF-UHFFFAOYSA-N
XLogP0.35
TPSA82.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tetramethyl cyclohexa-2,5-diene-1,2,3,4-tetracarboxylate
CID 101243540
methyl 6-fluoro-4-oxo-4aH-quinoline-2-carboxylate
CID 71650592
methyl 6,8-dichloro-4-oxo-4aH-quinoline-2-carboxylate
CID 71650588
tetramethyl 1,4-dihydropyridazine-3,4,5,6-tetracarboxylate
CID 101000020
dimethyl 3,6-dimethoxycyclohexa-1,4-diene-1,2-dicarboxylate
CID 15577366
6-chloro-2-(chloromethyl)-6H-quinolin-4-one
CID 73403338
methyl 4-hydroxy-5-oxo-2H-furan-2-carboxylate
CID 90470554
dimethyl tetracyclo[4.2.2.22,5.01,6]dodeca-3,7,9,11-tetraene-3,4-dicarboxylate
CID 596148
methyl 2-oxo-1,7a-dihydrobenzimidazole-5-carboxylate
CID 178185868
dimethyl cyclohexa-1,5-diene-1,3-dicarboxylate
CID 10584037
methyl 2-oxo-6-(trifluoromethyl)-3H-pyridine-3-carboxylate
CID 72747594
dimethyl (1S,4R,7S,8S)-7,8-diacetyloxybicyclo[2.2.2]octa-2,5-diene-2,3-dicarboxylate
CID 11823946

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-oxo-6H-quinoline-2,6-dicarboxylate?
The IUPAC name of dimethyl 4-oxo-6H-quinoline-2,6-dicarboxylate (CID 73307025) is dimethyl 4-oxo-6H-quinoline-2,6-dicarboxylate.
What is the SMILES notation for dimethyl 4-oxo-6H-quinoline-2,6-dicarboxylate?
The canonical SMILES for dimethyl 4-oxo-6H-quinoline-2,6-dicarboxylate is COC(=O)C1=CC(=O)C2=CC(C(=O)OC)C=CC2=N1.
What is the InChIKey of dimethyl 4-oxo-6H-quinoline-2,6-dicarboxylate?
The InChIKey is XUNRHPKJTDRDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5/c1-18-12(16)7-3-4-9-8(5-7)11(15)6-10(14-9)13(17)19-2/h3-7H,1-2H3.
What are the key properties of dimethyl 4-oxo-6H-quinoline-2,6-dicarboxylate?
dimethyl 4-oxo-6H-quinoline-2,6-dicarboxylate has a molecular weight of 261.23 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-oxo-6H-quinoline-2,6-dicarboxylate is sourced from PubChem (CID 73307025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).