11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-(2,3-difluorophenyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-4,12-dione

C23H16F4N4O4 — CID 72947402

IUPAC11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-(2,3-difluorophenyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-4,12-dione
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc4c(c3N(c3cccc(F)c3F)C2=O)CC(=O)N4)c1F
InChIInChI=1S/C23H16F4N4O4/c1-34-14-7-15(35-2)19(27)21(18(14)26)30-9-10-8-28-22-11(6-16(32)29-22)20(10)31(23(30)33)13-5-3-4-12(24)17(13)25/h3-5,7-8H,6,9H2,1-2H3,(H,28,29,32)
InChIKeyMUMHLIYCSXVGDX-UHFFFAOYSA-N
MW488.40 g/mol
LogP4.43
Rot. Bonds4

About 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-(2,3-difluorophenyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-4,12-dione

11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-(2,3-difluorophenyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-4,12-dione (PubChem CID 72947402) has the molecular formula C23H16F4N4O4 and a molecular weight of 488.40 g/mol. Its IUPAC name is 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-(2,3-difluorophenyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-4,12-dione.

Molecular Properties

Compound Name11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-(2,3-difluorophenyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-4,12-dione
PubChem CID72947402
Molecular FormulaC23H16F4N4O4
Molecular Weight488.40 g/mol
Exact Mass488.11
IUPAC Name11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-(2,3-difluorophenyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-4,12-dione
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc4c(c3N(c3cccc(F)c3F)C2=O)CC(=O)N4)c1F
InChIInChI=1S/C23H16F4N4O4/c1-34-14-7-15(35-2)19(27)21(18(14)26)30-9-10-8-28-22-11(6-16(32)29-22)20(10)31(23(30)33)13-5-3-4-12(24)17(13)25/h3-5,7-8H,6,9H2,1-2H3,(H,28,29,32)
InChIKeyMUMHLIYCSXVGDX-UHFFFAOYSA-N
XLogP4.43
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-(2,3-difluorophenyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-4,12-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-(2,6-difluoro-3,5-dimethoxyphenyl)-13-(2,3-difluorophenyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-4,12-dione?
The IUPAC name of 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-(2,3-difluorophenyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-4,12-dione (CID 72947402) is 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-(2,3-difluorophenyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-4,12-dione.
What is the SMILES notation for 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-(2,3-difluorophenyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-4,12-dione?
The canonical SMILES for 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-(2,3-difluorophenyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-4,12-dione is COc1cc(OC)c(F)c(N2Cc3cnc4c(c3N(c3cccc(F)c3F)C2=O)CC(=O)N4)c1F.
What is the InChIKey of 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-(2,3-difluorophenyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-4,12-dione?
The InChIKey is MUMHLIYCSXVGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N4O4/c1-34-14-7-15(35-2)19(27)21(18(14)26)30-9-10-8-28-22-11(6-16(32)29-22)20(10)31(23(30)33)13-5-3-4-12(24)17(13)25/h3-5,7-8H,6,9H2,1-2H3,(H,28,29,32).
What are the key properties of 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-(2,3-difluorophenyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-4,12-dione?
11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-(2,3-difluorophenyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-4,12-dione has a molecular weight of 488.40 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-(2,3-difluorophenyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-4,12-dione is sourced from PubChem (CID 72947402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).