dimethyl quinoline-2,3-dicarboxylate

C13H11NO4 — CID 11010215

IUPACdimethyl quinoline-2,3-dicarboxylate
SMILESCOC(=O)c1cc2ccccc2nc1C(=O)OC
InChIInChI=1S/C13H11NO4/c1-17-12(15)9-7-8-5-3-4-6-10(8)14-11(9)13(16)18-2/h3-7H,1-2H3
InChIKeyLJLAVRGABNTTSN-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.81
Rot. Bonds2

About dimethyl quinoline-2,3-dicarboxylate

dimethyl quinoline-2,3-dicarboxylate (PubChem CID 11010215) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is dimethyl quinoline-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl quinoline-2,3-dicarboxylate
PubChem CID11010215
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Namedimethyl quinoline-2,3-dicarboxylate
SMILESCOC(=O)c1cc2ccccc2nc1C(=O)OC
InChIInChI=1S/C13H11NO4/c1-17-12(15)9-7-8-5-3-4-6-10(8)14-11(9)13(16)18-2/h3-7H,1-2H3
InChIKeyLJLAVRGABNTTSN-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

Analyze dimethyl quinoline-2,3-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl quinoline-2,3-dicarboxylate?
The IUPAC name of dimethyl quinoline-2,3-dicarboxylate (CID 11010215) is dimethyl quinoline-2,3-dicarboxylate.
What is the SMILES notation for dimethyl quinoline-2,3-dicarboxylate?
The canonical SMILES for dimethyl quinoline-2,3-dicarboxylate is COC(=O)c1cc2ccccc2nc1C(=O)OC.
What is the InChIKey of dimethyl quinoline-2,3-dicarboxylate?
The InChIKey is LJLAVRGABNTTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-17-12(15)9-7-8-5-3-4-6-10(8)14-11(9)13(16)18-2/h3-7H,1-2H3.
What are the key properties of dimethyl quinoline-2,3-dicarboxylate?
dimethyl quinoline-2,3-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-2,3-dicarboxylate is sourced from PubChem (CID 11010215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).