diethyl phenazine-1,6-dicarboxylate

C18H16N2O4 — CID 71514835

IUPACdiethyl phenazine-1,6-dicarboxylate
SMILESCCOC(=O)c1cccc2nc3c(C(=O)OCC)cccc3nc12
InChIInChI=1S/C18H16N2O4/c1-3-23-17(21)11-7-5-9-13-15(11)19-14-10-6-8-12(16(14)20-13)18(22)24-4-2/h5-10H,3-4H2,1-2H3
InChIKeyCVDODRSLQDQMTK-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.14
Rot. Bonds4

About diethyl phenazine-1,6-dicarboxylate

diethyl phenazine-1,6-dicarboxylate (PubChem CID 71514835) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is diethyl phenazine-1,6-dicarboxylate.

Molecular Properties

Compound Namediethyl phenazine-1,6-dicarboxylate
PubChem CID71514835
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Namediethyl phenazine-1,6-dicarboxylate
SMILESCCOC(=O)c1cccc2nc3c(C(=O)OCC)cccc3nc12
InChIInChI=1S/C18H16N2O4/c1-3-23-17(21)11-7-5-9-13-15(11)19-14-10-6-8-12(16(14)20-13)18(22)24-4-2/h5-10H,3-4H2,1-2H3
InChIKeyCVDODRSLQDQMTK-UHFFFAOYSA-N
XLogP3.14
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 2H-benzotriazole-4-carboxylate
CID 14534407
ethyl 2-methyl-1H-benzimidazole-4-carboxylate
CID 18680979
ethyl 2-methyl-1,3-benzothiazole-7-carboxylate
CID 135397113
ethyl 2-tert-butyl-1H-benzimidazole-4-carboxylate
CID 83422569
ethyl 2-amino-1,3-benzothiazole-4-carboxylate
CID 19894837
ethyl 2-sulfamoyl-1H-benzimidazole-4-carboxylate
CID 18354850
butyl 8-aminophenazine-1-carboxylate
CID 46187939
ethyl 3,8-dimethylquinoxaline-2-carboxylate
CID 67396777
ethyl 1,3-benzoxazole-4-carboxylate
CID 131699993
ethyl 2-(chloromethyl)-1,3-benzoxazole-4-carboxylate
CID 131291047
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
diethyl benzene-1,2-dicarboxylate;1-phosphanylethanone
CID 174959063

Frequently Asked Questions

What is the IUPAC name of diethyl phenazine-1,6-dicarboxylate?
The IUPAC name of diethyl phenazine-1,6-dicarboxylate (CID 71514835) is diethyl phenazine-1,6-dicarboxylate.
What is the SMILES notation for diethyl phenazine-1,6-dicarboxylate?
The canonical SMILES for diethyl phenazine-1,6-dicarboxylate is CCOC(=O)c1cccc2nc3c(C(=O)OCC)cccc3nc12.
What is the InChIKey of diethyl phenazine-1,6-dicarboxylate?
The InChIKey is CVDODRSLQDQMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-3-23-17(21)11-7-5-9-13-15(11)19-14-10-6-8-12(16(14)20-13)18(22)24-4-2/h5-10H,3-4H2,1-2H3.
What are the key properties of diethyl phenazine-1,6-dicarboxylate?
diethyl phenazine-1,6-dicarboxylate has a molecular weight of 324.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl phenazine-1,6-dicarboxylate is sourced from PubChem (CID 71514835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).