5,13,15-trimethyl-10,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11-hexaene-14,16-dione

C17H15N3O2 — CID 937357

IUPAC5,13,15-trimethyl-10,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11-hexaene-14,16-dione
SMILESCc1ccc2c(ccn3cc4c(c(=O)n(C)c(=O)n4C)c23)c1
InChIInChI=1S/C17H15N3O2/c1-10-4-5-12-11(8-10)6-7-20-9-13-14(15(12)20)16(21)19(3)17(22)18(13)2/h4-9H,1-3H3
InChIKeyXEGSMMVSGHNCAT-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.95
Rot. Bonds

About 5,13,15-trimethyl-10,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11-hexaene-14,16-dione

5,13,15-trimethyl-10,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11-hexaene-14,16-dione (PubChem CID 937357) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 5,13,15-trimethyl-10,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11-hexaene-14,16-dione.

Molecular Properties

Compound Name5,13,15-trimethyl-10,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11-hexaene-14,16-dione
PubChem CID937357
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name5,13,15-trimethyl-10,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11-hexaene-14,16-dione
SMILESCc1ccc2c(ccn3cc4c(c(=O)n(C)c(=O)n4C)c23)c1
InChIInChI=1S/C17H15N3O2/c1-10-4-5-12-11(8-10)6-7-20-9-13-14(15(12)20)16(21)19(3)17(22)18(13)2/h4-9H,1-3H3
InChIKeyXEGSMMVSGHNCAT-UHFFFAOYSA-N
XLogP1.95
TPSA48.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,13,15-trimethyl-10,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11-hexaene-14,16-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,13,15-trimethyl-10,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11-hexaene-14,16-dione?
The IUPAC name of 5,13,15-trimethyl-10,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11-hexaene-14,16-dione (CID 937357) is 5,13,15-trimethyl-10,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11-hexaene-14,16-dione.
What is the SMILES notation for 5,13,15-trimethyl-10,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11-hexaene-14,16-dione?
The canonical SMILES for 5,13,15-trimethyl-10,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11-hexaene-14,16-dione is Cc1ccc2c(ccn3cc4c(c(=O)n(C)c(=O)n4C)c23)c1.
What is the InChIKey of 5,13,15-trimethyl-10,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11-hexaene-14,16-dione?
The InChIKey is XEGSMMVSGHNCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-10-4-5-12-11(8-10)6-7-20-9-13-14(15(12)20)16(21)19(3)17(22)18(13)2/h4-9H,1-3H3.
What are the key properties of 5,13,15-trimethyl-10,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11-hexaene-14,16-dione?
5,13,15-trimethyl-10,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11-hexaene-14,16-dione has a molecular weight of 293.33 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,13,15-trimethyl-10,13,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11-hexaene-14,16-dione is sourced from PubChem (CID 937357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).