diethyl 1,4-dihydropyridazino[4,5-b]quinoxaline-2,3-dicarboxylate

C16H18N4O4 — CID 134907365

IUPACdiethyl 1,4-dihydropyridazino[4,5-b]quinoxaline-2,3-dicarboxylate
SMILESCCOC(=O)N1Cc2nc3ccccc3nc2CN1C(=O)OCC
InChIInChI=1S/C16H18N4O4/c1-3-23-15(21)19-9-13-14(10-20(19)16(22)24-4-2)18-12-8-6-5-7-11(12)17-13/h5-8H,3-4,9-10H2,1-2H3
InChIKeyHMTVNIREFBRROO-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.48
Rot. Bonds2

About diethyl 1,4-dihydropyridazino[4,5-b]quinoxaline-2,3-dicarboxylate

diethyl 1,4-dihydropyridazino[4,5-b]quinoxaline-2,3-dicarboxylate (PubChem CID 134907365) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is diethyl 1,4-dihydropyridazino[4,5-b]quinoxaline-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 1,4-dihydropyridazino[4,5-b]quinoxaline-2,3-dicarboxylate
PubChem CID134907365
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Namediethyl 1,4-dihydropyridazino[4,5-b]quinoxaline-2,3-dicarboxylate
SMILESCCOC(=O)N1Cc2nc3ccccc3nc2CN1C(=O)OCC
InChIInChI=1S/C16H18N4O4/c1-3-23-15(21)19-9-13-14(10-20(19)16(22)24-4-2)18-12-8-6-5-7-11(12)17-13/h5-8H,3-4,9-10H2,1-2H3
InChIKeyHMTVNIREFBRROO-UHFFFAOYSA-N
XLogP2.48
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl 1,4-dihydropyridazino[4,5-b]quinoxaline-2,3-dicarboxylate?
The IUPAC name of diethyl 1,4-dihydropyridazino[4,5-b]quinoxaline-2,3-dicarboxylate (CID 134907365) is diethyl 1,4-dihydropyridazino[4,5-b]quinoxaline-2,3-dicarboxylate.
What is the SMILES notation for diethyl 1,4-dihydropyridazino[4,5-b]quinoxaline-2,3-dicarboxylate?
The canonical SMILES for diethyl 1,4-dihydropyridazino[4,5-b]quinoxaline-2,3-dicarboxylate is CCOC(=O)N1Cc2nc3ccccc3nc2CN1C(=O)OCC.
What is the InChIKey of diethyl 1,4-dihydropyridazino[4,5-b]quinoxaline-2,3-dicarboxylate?
The InChIKey is HMTVNIREFBRROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-3-23-15(21)19-9-13-14(10-20(19)16(22)24-4-2)18-12-8-6-5-7-11(12)17-13/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of diethyl 1,4-dihydropyridazino[4,5-b]quinoxaline-2,3-dicarboxylate?
diethyl 1,4-dihydropyridazino[4,5-b]quinoxaline-2,3-dicarboxylate has a molecular weight of 330.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1,4-dihydropyridazino[4,5-b]quinoxaline-2,3-dicarboxylate is sourced from PubChem (CID 134907365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).