dimethyl phenazine-1,6-dicarboxylate

C16H12N2O4 — CID 10756325

IUPACdimethyl phenazine-1,6-dicarboxylate
SMILESCOC(=O)c1cccc2nc3c(C(=O)OC)cccc3nc12
InChIInChI=1S/C16H12N2O4/c1-21-15(19)9-5-3-7-11-13(9)17-12-8-4-6-10(14(12)18-11)16(20)22-2/h3-8H,1-2H3
InChIKeyBKKXRPZAWAUFKA-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.36
Rot. Bonds2

About dimethyl phenazine-1,6-dicarboxylate

dimethyl phenazine-1,6-dicarboxylate (PubChem CID 10756325) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is dimethyl phenazine-1,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl phenazine-1,6-dicarboxylate
PubChem CID10756325
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Namedimethyl phenazine-1,6-dicarboxylate
SMILESCOC(=O)c1cccc2nc3c(C(=O)OC)cccc3nc12
InChIInChI=1S/C16H12N2O4/c1-21-15(19)9-5-3-7-11-13(9)17-12-8-4-6-10(14(12)18-11)16(20)22-2/h3-8H,1-2H3
InChIKeyBKKXRPZAWAUFKA-UHFFFAOYSA-N
XLogP2.36
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.36
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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Frequently Asked Questions

What is the IUPAC name of dimethyl phenazine-1,6-dicarboxylate?
The IUPAC name of dimethyl phenazine-1,6-dicarboxylate (CID 10756325) is dimethyl phenazine-1,6-dicarboxylate.
What is the SMILES notation for dimethyl phenazine-1,6-dicarboxylate?
The canonical SMILES for dimethyl phenazine-1,6-dicarboxylate is COC(=O)c1cccc2nc3c(C(=O)OC)cccc3nc12.
What is the InChIKey of dimethyl phenazine-1,6-dicarboxylate?
The InChIKey is BKKXRPZAWAUFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-21-15(19)9-5-3-7-11-13(9)17-12-8-4-6-10(14(12)18-11)16(20)22-2/h3-8H,1-2H3.
What are the key properties of dimethyl phenazine-1,6-dicarboxylate?
dimethyl phenazine-1,6-dicarboxylate has a molecular weight of 296.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl phenazine-1,6-dicarboxylate is sourced from PubChem (CID 10756325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).