dimethyl 5-oxo-4,6,7,8-tetrahydro-1H-quinoline-2,4-dicarboxylate

C13H15NO5 — CID 15328648

IUPACdimethyl 5-oxo-4,6,7,8-tetrahydro-1H-quinoline-2,4-dicarboxylate
SMILESCOC(=O)C1=CC(C(=O)OC)C2=C(CCCC2=O)N1
InChIInChI=1S/C13H15NO5/c1-18-12(16)7-6-9(13(17)19-2)14-8-4-3-5-10(15)11(7)8/h6-7,14H,3-5H2,1-2H3
InChIKeyUCPYBGGXNIUPPF-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.44
Rot. Bonds2

About dimethyl 5-oxo-4,6,7,8-tetrahydro-1H-quinoline-2,4-dicarboxylate

dimethyl 5-oxo-4,6,7,8-tetrahydro-1H-quinoline-2,4-dicarboxylate (PubChem CID 15328648) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is dimethyl 5-oxo-4,6,7,8-tetrahydro-1H-quinoline-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-oxo-4,6,7,8-tetrahydro-1H-quinoline-2,4-dicarboxylate
PubChem CID15328648
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Namedimethyl 5-oxo-4,6,7,8-tetrahydro-1H-quinoline-2,4-dicarboxylate
SMILESCOC(=O)C1=CC(C(=O)OC)C2=C(CCCC2=O)N1
InChIInChI=1S/C13H15NO5/c1-18-12(16)7-6-9(13(17)19-2)14-8-4-3-5-10(15)11(7)8/h6-7,14H,3-5H2,1-2H3
InChIKeyUCPYBGGXNIUPPF-UHFFFAOYSA-N
XLogP0.44
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 5-oxo-4,6,7,8-tetrahydro-1H-quinoline-2,4-dicarboxylate?
The IUPAC name of dimethyl 5-oxo-4,6,7,8-tetrahydro-1H-quinoline-2,4-dicarboxylate (CID 15328648) is dimethyl 5-oxo-4,6,7,8-tetrahydro-1H-quinoline-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-oxo-4,6,7,8-tetrahydro-1H-quinoline-2,4-dicarboxylate?
The canonical SMILES for dimethyl 5-oxo-4,6,7,8-tetrahydro-1H-quinoline-2,4-dicarboxylate is COC(=O)C1=CC(C(=O)OC)C2=C(CCCC2=O)N1.
What is the InChIKey of dimethyl 5-oxo-4,6,7,8-tetrahydro-1H-quinoline-2,4-dicarboxylate?
The InChIKey is UCPYBGGXNIUPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-18-12(16)7-6-9(13(17)19-2)14-8-4-3-5-10(15)11(7)8/h6-7,14H,3-5H2,1-2H3.
What are the key properties of dimethyl 5-oxo-4,6,7,8-tetrahydro-1H-quinoline-2,4-dicarboxylate?
dimethyl 5-oxo-4,6,7,8-tetrahydro-1H-quinoline-2,4-dicarboxylate has a molecular weight of 265.26 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-oxo-4,6,7,8-tetrahydro-1H-quinoline-2,4-dicarboxylate is sourced from PubChem (CID 15328648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).