11-methyl-6-(3,4,5-trimethoxyphenyl)-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione

C21H21N3O5 — CID 5296669

IUPAC11-methyl-6-(3,4,5-trimethoxyphenyl)-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione
SMILESCOc1cc(C2CC(=O)Nc3c2c(=O)nc2c(C)cccn32)cc(OC)c1OC
InChIInChI=1S/C21H21N3O5/c1-11-6-5-7-24-19(11)23-21(26)17-13(10-16(25)22-20(17)24)12-8-14(27-2)18(29-4)15(9-12)28-3/h5-9,13H,10H2,1-4H3,(H,22,25)
InChIKeyGLMBLAKMEVSUAQ-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.50
Rot. Bonds4

About 11-methyl-6-(3,4,5-trimethoxyphenyl)-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione

11-methyl-6-(3,4,5-trimethoxyphenyl)-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione (PubChem CID 5296669) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 11-methyl-6-(3,4,5-trimethoxyphenyl)-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione.

Molecular Properties

Compound Name11-methyl-6-(3,4,5-trimethoxyphenyl)-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione
PubChem CID5296669
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name11-methyl-6-(3,4,5-trimethoxyphenyl)-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione
SMILESCOc1cc(C2CC(=O)Nc3c2c(=O)nc2c(C)cccn32)cc(OC)c1OC
InChIInChI=1S/C21H21N3O5/c1-11-6-5-7-24-19(11)23-21(26)17-13(10-16(25)22-20(17)24)12-8-14(27-2)18(29-4)15(9-12)28-3/h5-9,13H,10H2,1-4H3,(H,22,25)
InChIKeyGLMBLAKMEVSUAQ-UHFFFAOYSA-N
XLogP2.50
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 11-methyl-6-(3,4,5-trimethoxyphenyl)-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-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 11-methyl-6-(3,4,5-trimethoxyphenyl)-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione?
The IUPAC name of 11-methyl-6-(3,4,5-trimethoxyphenyl)-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione (CID 5296669) is 11-methyl-6-(3,4,5-trimethoxyphenyl)-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione.
What is the SMILES notation for 11-methyl-6-(3,4,5-trimethoxyphenyl)-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione?
The canonical SMILES for 11-methyl-6-(3,4,5-trimethoxyphenyl)-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione is COc1cc(C2CC(=O)Nc3c2c(=O)nc2c(C)cccn32)cc(OC)c1OC.
What is the InChIKey of 11-methyl-6-(3,4,5-trimethoxyphenyl)-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione?
The InChIKey is GLMBLAKMEVSUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-11-6-5-7-24-19(11)23-21(26)17-13(10-16(25)22-20(17)24)12-8-14(27-2)18(29-4)15(9-12)28-3/h5-9,13H,10H2,1-4H3,(H,22,25).
What are the key properties of 11-methyl-6-(3,4,5-trimethoxyphenyl)-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione?
11-methyl-6-(3,4,5-trimethoxyphenyl)-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione has a molecular weight of 395.42 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-6-(3,4,5-trimethoxyphenyl)-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione is sourced from PubChem (CID 5296669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).