dimethyl quinoline-2,4-dicarboxylate

C13H11NO4 — CID 604597

IUPACdimethyl quinoline-2,4-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)c2ccccc2n1
InChIInChI=1S/C13H11NO4/c1-17-12(15)9-7-11(13(16)18-2)14-10-6-4-3-5-8(9)10/h3-7H,1-2H3
InChIKeyMJKAAOICRQGSJB-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.81
Rot. Bonds2

About dimethyl quinoline-2,4-dicarboxylate

dimethyl quinoline-2,4-dicarboxylate (PubChem CID 604597) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is dimethyl quinoline-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl quinoline-2,4-dicarboxylate
PubChem CID604597
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Namedimethyl quinoline-2,4-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)c2ccccc2n1
InChIInChI=1S/C13H11NO4/c1-17-12(15)9-7-11(13(16)18-2)14-10-6-4-3-5-8(9)10/h3-7H,1-2H3
InChIKeyMJKAAOICRQGSJB-UHFFFAOYSA-N
XLogP1.81
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl quinoline-2,4-dicarboxylate?
The IUPAC name of dimethyl quinoline-2,4-dicarboxylate (CID 604597) is dimethyl quinoline-2,4-dicarboxylate.
What is the SMILES notation for dimethyl quinoline-2,4-dicarboxylate?
The canonical SMILES for dimethyl quinoline-2,4-dicarboxylate is COC(=O)c1cc(C(=O)OC)c2ccccc2n1.
What is the InChIKey of dimethyl quinoline-2,4-dicarboxylate?
The InChIKey is MJKAAOICRQGSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-17-12(15)9-7-11(13(16)18-2)14-10-6-4-3-5-8(9)10/h3-7H,1-2H3.
What are the key properties of dimethyl quinoline-2,4-dicarboxylate?
dimethyl quinoline-2,4-dicarboxylate has a molecular weight of 245.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl quinoline-2,4-dicarboxylate is sourced from PubChem (CID 604597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).