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

C20H19N3O4 — CID 5299092

IUPAC6-(2,3-dimethoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione
SMILESCOc1cccc(C2CC(=O)Nc3c2c(=O)nc2c(C)cccn32)c1OC
InChIInChI=1S/C20H19N3O4/c1-11-6-5-9-23-18(11)22-20(25)16-13(10-15(24)21-19(16)23)12-7-4-8-14(26-2)17(12)27-3/h4-9,13H,10H2,1-3H3,(H,21,24)
InChIKeyLOLHZPNNNUBRDM-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.49
Rot. Bonds3

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

6-(2,3-dimethoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione (PubChem CID 5299092) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 6-(2,3-dimethoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione.

Molecular Properties

Compound Name6-(2,3-dimethoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione
PubChem CID5299092
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name6-(2,3-dimethoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione
SMILESCOc1cccc(C2CC(=O)Nc3c2c(=O)nc2c(C)cccn32)c1OC
InChIInChI=1S/C20H19N3O4/c1-11-6-5-9-23-18(11)22-20(25)16-13(10-15(24)21-19(16)23)12-7-4-8-14(26-2)17(12)27-3/h4-9,13H,10H2,1-3H3,(H,21,24)
InChIKeyLOLHZPNNNUBRDM-UHFFFAOYSA-N
XLogP2.49
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2,3-dimethoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione?
The IUPAC name of 6-(2,3-dimethoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione (CID 5299092) is 6-(2,3-dimethoxyphenyl)-11-methyl-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 6-(2,3-dimethoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione?
The canonical SMILES for 6-(2,3-dimethoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione is COc1cccc(C2CC(=O)Nc3c2c(=O)nc2c(C)cccn32)c1OC.
What is the InChIKey of 6-(2,3-dimethoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione?
The InChIKey is LOLHZPNNNUBRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-11-6-5-9-23-18(11)22-20(25)16-13(10-15(24)21-19(16)23)12-7-4-8-14(26-2)17(12)27-3/h4-9,13H,10H2,1-3H3,(H,21,24).
What are the key properties of 6-(2,3-dimethoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione?
6-(2,3-dimethoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione has a molecular weight of 365.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethoxyphenyl)-11-methyl-1,3,9-triazatricyclo[8.4.0.02,7]tetradeca-2(7),9,11,13-tetraene-4,8-dione is sourced from PubChem (CID 5299092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).