4,11-dimethyl-3,6-diazatricyclo[6.4.2.09,12]tetradeca-1(12),8,13-triene-2,7-dione

C14H16N2O2 — CID 22992707

IUPAC4,11-dimethyl-3,6-diazatricyclo[6.4.2.09,12]tetradeca-1(12),8,13-triene-2,7-dione
SMILESCC1CNC(=O)c2ccc(c3c2CC3C)C(=O)N1
InChIInChI=1S/C14H16N2O2/c1-7-5-11-9-3-4-10(12(7)11)14(18)16-8(2)6-15-13(9)17/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeySGOHGZNMJIIRFD-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.21
Rot. Bonds

About 4,11-dimethyl-3,6-diazatricyclo[6.4.2.09,12]tetradeca-1(12),8,13-triene-2,7-dione

4,11-dimethyl-3,6-diazatricyclo[6.4.2.09,12]tetradeca-1(12),8,13-triene-2,7-dione (PubChem CID 22992707) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4,11-dimethyl-3,6-diazatricyclo[6.4.2.09,12]tetradeca-1(12),8,13-triene-2,7-dione.

Molecular Properties

Compound Name4,11-dimethyl-3,6-diazatricyclo[6.4.2.09,12]tetradeca-1(12),8,13-triene-2,7-dione
PubChem CID22992707
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4,11-dimethyl-3,6-diazatricyclo[6.4.2.09,12]tetradeca-1(12),8,13-triene-2,7-dione
SMILESCC1CNC(=O)c2ccc(c3c2CC3C)C(=O)N1
InChIInChI=1S/C14H16N2O2/c1-7-5-11-9-3-4-10(12(7)11)14(18)16-8(2)6-15-13(9)17/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)(H,16,18)
InChIKeySGOHGZNMJIIRFD-UHFFFAOYSA-N
XLogP1.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,11-dimethyl-3,6-diazatricyclo[6.4.2.09,12]tetradeca-1(12),8,13-triene-2,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,11-dimethyl-3,6-diazatricyclo[6.4.2.09,12]tetradeca-1(12),8,13-triene-2,7-dione?
The IUPAC name of 4,11-dimethyl-3,6-diazatricyclo[6.4.2.09,12]tetradeca-1(12),8,13-triene-2,7-dione (CID 22992707) is 4,11-dimethyl-3,6-diazatricyclo[6.4.2.09,12]tetradeca-1(12),8,13-triene-2,7-dione.
What is the SMILES notation for 4,11-dimethyl-3,6-diazatricyclo[6.4.2.09,12]tetradeca-1(12),8,13-triene-2,7-dione?
The canonical SMILES for 4,11-dimethyl-3,6-diazatricyclo[6.4.2.09,12]tetradeca-1(12),8,13-triene-2,7-dione is CC1CNC(=O)c2ccc(c3c2CC3C)C(=O)N1.
What is the InChIKey of 4,11-dimethyl-3,6-diazatricyclo[6.4.2.09,12]tetradeca-1(12),8,13-triene-2,7-dione?
The InChIKey is SGOHGZNMJIIRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-7-5-11-9-3-4-10(12(7)11)14(18)16-8(2)6-15-13(9)17/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 4,11-dimethyl-3,6-diazatricyclo[6.4.2.09,12]tetradeca-1(12),8,13-triene-2,7-dione?
4,11-dimethyl-3,6-diazatricyclo[6.4.2.09,12]tetradeca-1(12),8,13-triene-2,7-dione has a molecular weight of 244.29 g/mol, XLogP of 1.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-dimethyl-3,6-diazatricyclo[6.4.2.09,12]tetradeca-1(12),8,13-triene-2,7-dione is sourced from PubChem (CID 22992707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).