4-(2,4-dimethoxyphenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione

C19H16N2O5 — CID 75490180

IUPAC4-(2,4-dimethoxyphenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione
SMILESCOc1ccc(C2CC(=O)Oc3nc4ccccn4c(=O)c32)c(OC)c1
InChIInChI=1S/C19H16N2O5/c1-24-11-6-7-12(14(9-11)25-2)13-10-16(22)26-18-17(13)19(23)21-8-4-3-5-15(21)20-18/h3-9,13H,10H2,1-2H3
InChIKeyURNZKUVVWVAIHW-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.15
Rot. Bonds3

About 4-(2,4-dimethoxyphenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione

4-(2,4-dimethoxyphenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione (PubChem CID 75490180) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione
PubChem CID75490180
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name4-(2,4-dimethoxyphenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione
SMILESCOc1ccc(C2CC(=O)Oc3nc4ccccn4c(=O)c32)c(OC)c1
InChIInChI=1S/C19H16N2O5/c1-24-11-6-7-12(14(9-11)25-2)13-10-16(22)26-18-17(13)19(23)21-8-4-3-5-15(21)20-18/h3-9,13H,10H2,1-2H3
InChIKeyURNZKUVVWVAIHW-UHFFFAOYSA-N
XLogP2.15
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(2,4-dimethoxyphenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-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-(2,4-dimethoxyphenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione (CID 75490180) is 4-(2,4-dimethoxyphenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione is COc1ccc(C2CC(=O)Oc3nc4ccccn4c(=O)c32)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione?
The InChIKey is URNZKUVVWVAIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-24-11-6-7-12(14(9-11)25-2)13-10-16(22)26-18-17(13)19(23)21-8-4-3-5-15(21)20-18/h3-9,13H,10H2,1-2H3.
What are the key properties of 4-(2,4-dimethoxyphenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione?
4-(2,4-dimethoxyphenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione has a molecular weight of 352.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-7-oxa-1,9-diazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-2,6-dione is sourced from PubChem (CID 75490180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).