4,6,11,13-tetramethyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,10,13-tetraene-5,12-dione

C16H18N2O2 — CID 11737311

IUPAC4,6,11,13-tetramethyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,10,13-tetraene-5,12-dione
SMILESCc1cn2c(c(C)c1=O)Cn1cc(C)c(=O)c(C)c1C2
InChIInChI=1S/C16H18N2O2/c1-9-5-17-7-14-12(4)16(20)10(2)6-18(14)8-13(17)11(3)15(9)19/h5-6H,7-8H2,1-4H3
InChIKeyQAXFXASCGKYEHM-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.65
Rot. Bonds

About 4,6,11,13-tetramethyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,10,13-tetraene-5,12-dione

4,6,11,13-tetramethyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,10,13-tetraene-5,12-dione (PubChem CID 11737311) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4,6,11,13-tetramethyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,10,13-tetraene-5,12-dione.

Molecular Properties

Compound Name4,6,11,13-tetramethyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,10,13-tetraene-5,12-dione
PubChem CID11737311
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4,6,11,13-tetramethyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,10,13-tetraene-5,12-dione
SMILESCc1cn2c(c(C)c1=O)Cn1cc(C)c(=O)c(C)c1C2
InChIInChI=1S/C16H18N2O2/c1-9-5-17-7-14-12(4)16(20)10(2)6-18(14)8-13(17)11(3)15(9)19/h5-6H,7-8H2,1-4H3
InChIKeyQAXFXASCGKYEHM-UHFFFAOYSA-N
XLogP1.65
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6,11,13-tetramethyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,10,13-tetraene-5,12-dione?
The IUPAC name of 4,6,11,13-tetramethyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,10,13-tetraene-5,12-dione (CID 11737311) is 4,6,11,13-tetramethyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,10,13-tetraene-5,12-dione.
What is the SMILES notation for 4,6,11,13-tetramethyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,10,13-tetraene-5,12-dione?
The canonical SMILES for 4,6,11,13-tetramethyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,10,13-tetraene-5,12-dione is Cc1cn2c(c(C)c1=O)Cn1cc(C)c(=O)c(C)c1C2.
What is the InChIKey of 4,6,11,13-tetramethyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,10,13-tetraene-5,12-dione?
The InChIKey is QAXFXASCGKYEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-9-5-17-7-14-12(4)16(20)10(2)6-18(14)8-13(17)11(3)15(9)19/h5-6H,7-8H2,1-4H3.
What are the key properties of 4,6,11,13-tetramethyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,10,13-tetraene-5,12-dione?
4,6,11,13-tetramethyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,10,13-tetraene-5,12-dione has a molecular weight of 270.33 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,11,13-tetramethyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6,10,13-tetraene-5,12-dione is sourced from PubChem (CID 11737311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).