dimethyl 4a,5,10,10a-tetrahydrophenazine-1,6-dicarboxylate

C16H16N2O4 — CID 163111426

IUPACdimethyl 4a,5,10,10a-tetrahydrophenazine-1,6-dicarboxylate
SMILESCOC(=O)C1=CC=CC2Nc3c(cccc3C(=O)OC)NC12
InChIInChI=1S/C16H16N2O4/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/h3-8,11,13,17-18H,1-2H3
InChIKeyNCGXMHGXUXJPHH-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.72
Rot. Bonds2

About dimethyl 4a,5,10,10a-tetrahydrophenazine-1,6-dicarboxylate

dimethyl 4a,5,10,10a-tetrahydrophenazine-1,6-dicarboxylate (PubChem CID 163111426) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is dimethyl 4a,5,10,10a-tetrahydrophenazine-1,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4a,5,10,10a-tetrahydrophenazine-1,6-dicarboxylate
PubChem CID163111426
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Namedimethyl 4a,5,10,10a-tetrahydrophenazine-1,6-dicarboxylate
SMILESCOC(=O)C1=CC=CC2Nc3c(cccc3C(=O)OC)NC12
InChIInChI=1S/C16H16N2O4/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/h3-8,11,13,17-18H,1-2H3
InChIKeyNCGXMHGXUXJPHH-UHFFFAOYSA-N
XLogP1.72
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4a,5,10,10a-tetrahydrophenazine-1,6-dicarboxylate?
The IUPAC name of dimethyl 4a,5,10,10a-tetrahydrophenazine-1,6-dicarboxylate (CID 163111426) is dimethyl 4a,5,10,10a-tetrahydrophenazine-1,6-dicarboxylate.
What is the SMILES notation for dimethyl 4a,5,10,10a-tetrahydrophenazine-1,6-dicarboxylate?
The canonical SMILES for dimethyl 4a,5,10,10a-tetrahydrophenazine-1,6-dicarboxylate is COC(=O)C1=CC=CC2Nc3c(cccc3C(=O)OC)NC12.
What is the InChIKey of dimethyl 4a,5,10,10a-tetrahydrophenazine-1,6-dicarboxylate?
The InChIKey is NCGXMHGXUXJPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/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/h3-8,11,13,17-18H,1-2H3.
What are the key properties of dimethyl 4a,5,10,10a-tetrahydrophenazine-1,6-dicarboxylate?
dimethyl 4a,5,10,10a-tetrahydrophenazine-1,6-dicarboxylate has a molecular weight of 300.31 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4a,5,10,10a-tetrahydrophenazine-1,6-dicarboxylate is sourced from PubChem (CID 163111426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).