5,6,15,16-tetramethoxy-1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12(17),13,15-hexaen-2-one

C22H25NO5 — CID 134948297

IUPAC5,6,15,16-tetramethoxy-1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12(17),13,15-hexaen-2-one
SMILESCOc1cc2c(cc1OC)C(=O)N1CCc3c(ccc(OC)c3OC)C1CC2
InChIInChI=1S/C22H25NO5/c1-25-18-8-6-14-15(21(18)28-4)9-10-23-17(14)7-5-13-11-19(26-2)20(27-3)12-16(13)22(23)24/h6,8,11-12,17H,5,7,9-10H2,1-4H3
InChIKeyWXXWEMSYIIXRFY-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.41
Rot. Bonds4

About 5,6,15,16-tetramethoxy-1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12(17),13,15-hexaen-2-one

5,6,15,16-tetramethoxy-1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12(17),13,15-hexaen-2-one (PubChem CID 134948297) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is 5,6,15,16-tetramethoxy-1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12(17),13,15-hexaen-2-one.

Molecular Properties

Compound Name5,6,15,16-tetramethoxy-1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12(17),13,15-hexaen-2-one
PubChem CID134948297
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name5,6,15,16-tetramethoxy-1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12(17),13,15-hexaen-2-one
SMILESCOc1cc2c(cc1OC)C(=O)N1CCc3c(ccc(OC)c3OC)C1CC2
InChIInChI=1S/C22H25NO5/c1-25-18-8-6-14-15(21(18)28-4)9-10-23-17(14)7-5-13-11-19(26-2)20(27-3)12-16(13)22(23)24/h6,8,11-12,17H,5,7,9-10H2,1-4H3
InChIKeyWXXWEMSYIIXRFY-UHFFFAOYSA-N
XLogP3.41
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,6,15,16-tetramethoxy-1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12(17),13,15-hexaen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,6,15,16-tetramethoxy-1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12(17),13,15-hexaen-2-one?
The IUPAC name of 5,6,15,16-tetramethoxy-1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12(17),13,15-hexaen-2-one (CID 134948297) is 5,6,15,16-tetramethoxy-1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12(17),13,15-hexaen-2-one.
What is the SMILES notation for 5,6,15,16-tetramethoxy-1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12(17),13,15-hexaen-2-one?
The canonical SMILES for 5,6,15,16-tetramethoxy-1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12(17),13,15-hexaen-2-one is COc1cc2c(cc1OC)C(=O)N1CCc3c(ccc(OC)c3OC)C1CC2.
What is the InChIKey of 5,6,15,16-tetramethoxy-1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12(17),13,15-hexaen-2-one?
The InChIKey is WXXWEMSYIIXRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-25-18-8-6-14-15(21(18)28-4)9-10-23-17(14)7-5-13-11-19(26-2)20(27-3)12-16(13)22(23)24/h6,8,11-12,17H,5,7,9-10H2,1-4H3.
What are the key properties of 5,6,15,16-tetramethoxy-1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12(17),13,15-hexaen-2-one?
5,6,15,16-tetramethoxy-1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12(17),13,15-hexaen-2-one has a molecular weight of 383.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,15,16-tetramethoxy-1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12(17),13,15-hexaen-2-one is sourced from PubChem (CID 134948297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).