diethyl cinnoline-1,2-dicarboxylate

C14H16N2O4 — CID 138962234

IUPACdiethyl cinnoline-1,2-dicarboxylate
SMILESCCOC(=O)N1C=Cc2ccccc2N1C(=O)OCC
InChIInChI=1S/C14H16N2O4/c1-3-19-13(17)15-10-9-11-7-5-6-8-12(11)16(15)14(18)20-4-2/h5-10H,3-4H2,1-2H3
InChIKeyKLWWINYSBINLNE-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.01
Rot. Bonds2

About diethyl cinnoline-1,2-dicarboxylate

diethyl cinnoline-1,2-dicarboxylate (PubChem CID 138962234) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is diethyl cinnoline-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl cinnoline-1,2-dicarboxylate
PubChem CID138962234
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Namediethyl cinnoline-1,2-dicarboxylate
SMILESCCOC(=O)N1C=Cc2ccccc2N1C(=O)OCC
InChIInChI=1S/C14H16N2O4/c1-3-19-13(17)15-10-9-11-7-5-6-8-12(11)16(15)14(18)20-4-2/h5-10H,3-4H2,1-2H3
InChIKeyKLWWINYSBINLNE-UHFFFAOYSA-N
XLogP3.01
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 27833
CID 27833
CID 100621
CID 100621
CID 2888563
CID 2888563
CID 222541
CID 222541
CID 285717
CID 285717
CID 280090
CID 280090
CID 27813
CID 27813
CID 51897
CID 51897
CID 87268
CID 87268
CID 89194
CID 89194
CID 108639
CID 108639
CID 207810
CID 207810

Frequently Asked Questions

What is the IUPAC name of diethyl cinnoline-1,2-dicarboxylate?
The IUPAC name of diethyl cinnoline-1,2-dicarboxylate (CID 138962234) is diethyl cinnoline-1,2-dicarboxylate.
What is the SMILES notation for diethyl cinnoline-1,2-dicarboxylate?
The canonical SMILES for diethyl cinnoline-1,2-dicarboxylate is CCOC(=O)N1C=Cc2ccccc2N1C(=O)OCC.
What is the InChIKey of diethyl cinnoline-1,2-dicarboxylate?
The InChIKey is KLWWINYSBINLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-19-13(17)15-10-9-11-7-5-6-8-12(11)16(15)14(18)20-4-2/h5-10H,3-4H2,1-2H3.
What are the key properties of diethyl cinnoline-1,2-dicarboxylate?
diethyl cinnoline-1,2-dicarboxylate has a molecular weight of 276.29 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl cinnoline-1,2-dicarboxylate is sourced from PubChem (CID 138962234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).