dimethyl 4,6-dimethyl-15-oxo-13,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,7,9(16),10,12-heptaene-11,12-dicarboxylate

C20H16N2O5 — CID 11175959

IUPACdimethyl 4,6-dimethyl-15-oxo-13,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,7,9(16),10,12-heptaene-11,12-dicarboxylate
SMILESCOC(=O)c1nn2c(=O)c3ccc(C)c4c(C)ccc(c43)c2c1C(=O)OC
InChIInChI=1S/C20H16N2O5/c1-9-5-7-11-14-12(8-6-10(2)13(9)14)18(23)22-17(11)15(19(24)26-3)16(21-22)20(25)27-4/h5-8H,1-4H3
InChIKeyVIOMLQMKSOYMFA-UHFFFAOYSA-N
MW364.36 g/mol
LogP2.63
Rot. Bonds2

About dimethyl 4,6-dimethyl-15-oxo-13,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,7,9(16),10,12-heptaene-11,12-dicarboxylate

dimethyl 4,6-dimethyl-15-oxo-13,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,7,9(16),10,12-heptaene-11,12-dicarboxylate (PubChem CID 11175959) has the molecular formula C20H16N2O5 and a molecular weight of 364.36 g/mol. Its IUPAC name is dimethyl 4,6-dimethyl-15-oxo-13,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,7,9(16),10,12-heptaene-11,12-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4,6-dimethyl-15-oxo-13,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,7,9(16),10,12-heptaene-11,12-dicarboxylate
PubChem CID11175959
Molecular FormulaC20H16N2O5
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Namedimethyl 4,6-dimethyl-15-oxo-13,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,7,9(16),10,12-heptaene-11,12-dicarboxylate
SMILESCOC(=O)c1nn2c(=O)c3ccc(C)c4c(C)ccc(c43)c2c1C(=O)OC
InChIInChI=1S/C20H16N2O5/c1-9-5-7-11-14-12(8-6-10(2)13(9)14)18(23)22-17(11)15(19(24)26-3)16(21-22)20(25)27-4/h5-8H,1-4H3
InChIKeyVIOMLQMKSOYMFA-UHFFFAOYSA-N
XLogP2.63
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze dimethyl 4,6-dimethyl-15-oxo-13,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,7,9(16),10,12-heptaene-11,12-dicarboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4,6-dimethyl-15-oxo-13,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,7,9(16),10,12-heptaene-11,12-dicarboxylate?
The IUPAC name of dimethyl 4,6-dimethyl-15-oxo-13,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,7,9(16),10,12-heptaene-11,12-dicarboxylate (CID 11175959) is dimethyl 4,6-dimethyl-15-oxo-13,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,7,9(16),10,12-heptaene-11,12-dicarboxylate.
What is the SMILES notation for dimethyl 4,6-dimethyl-15-oxo-13,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,7,9(16),10,12-heptaene-11,12-dicarboxylate?
The canonical SMILES for dimethyl 4,6-dimethyl-15-oxo-13,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,7,9(16),10,12-heptaene-11,12-dicarboxylate is COC(=O)c1nn2c(=O)c3ccc(C)c4c(C)ccc(c43)c2c1C(=O)OC.
What is the InChIKey of dimethyl 4,6-dimethyl-15-oxo-13,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,7,9(16),10,12-heptaene-11,12-dicarboxylate?
The InChIKey is VIOMLQMKSOYMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5/c1-9-5-7-11-14-12(8-6-10(2)13(9)14)18(23)22-17(11)15(19(24)26-3)16(21-22)20(25)27-4/h5-8H,1-4H3.
What are the key properties of dimethyl 4,6-dimethyl-15-oxo-13,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,7,9(16),10,12-heptaene-11,12-dicarboxylate?
dimethyl 4,6-dimethyl-15-oxo-13,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,7,9(16),10,12-heptaene-11,12-dicarboxylate has a molecular weight of 364.36 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4,6-dimethyl-15-oxo-13,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5,7,9(16),10,12-heptaene-11,12-dicarboxylate is sourced from PubChem (CID 11175959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).