8-oxa-1,11,18,21,22,23-hexazabicyclo[18.3.0]tricosa-20,22-diene-7,10,17-trione

C16H26N6O4 — CID 132583513

IUPAC8-oxa-1,11,18,21,22,23-hexazabicyclo[18.3.0]tricosa-20,22-diene-7,10,17-trione
SMILESO=C1CCCCCNC(=O)COC(=O)CCCCCn2nnnc2CN1
InChIInChI=1S/C16H26N6O4/c23-14-7-3-1-5-9-17-15(24)12-26-16(25)8-4-2-6-10-22-13(11-18-14)19-20-21-22/h1-12H2,(H,17,24)(H,18,23)
InChIKeyQJRXDFWFGDLGEX-UHFFFAOYSA-N
MW366.42 g/mol
LogP0.08
Rot. Bonds

About 8-oxa-1,11,18,21,22,23-hexazabicyclo[18.3.0]tricosa-20,22-diene-7,10,17-trione

8-oxa-1,11,18,21,22,23-hexazabicyclo[18.3.0]tricosa-20,22-diene-7,10,17-trione (PubChem CID 132583513) has the molecular formula C16H26N6O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 8-oxa-1,11,18,21,22,23-hexazabicyclo[18.3.0]tricosa-20,22-diene-7,10,17-trione.

Molecular Properties

Compound Name8-oxa-1,11,18,21,22,23-hexazabicyclo[18.3.0]tricosa-20,22-diene-7,10,17-trione
PubChem CID132583513
Molecular FormulaC16H26N6O4
Molecular Weight366.42 g/mol
Exact Mass366.20
IUPAC Name8-oxa-1,11,18,21,22,23-hexazabicyclo[18.3.0]tricosa-20,22-diene-7,10,17-trione
SMILESO=C1CCCCCNC(=O)COC(=O)CCCCCn2nnnc2CN1
InChIInChI=1S/C16H26N6O4/c23-14-7-3-1-5-9-17-15(24)12-26-16(25)8-4-2-6-10-22-13(11-18-14)19-20-21-22/h1-12H2,(H,17,24)(H,18,23)
InChIKeyQJRXDFWFGDLGEX-UHFFFAOYSA-N
XLogP0.08
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-1,11,18,21,22,23-hexazabicyclo[18.3.0]tricosa-20,22-diene-7,10,17-trione?
The IUPAC name of 8-oxa-1,11,18,21,22,23-hexazabicyclo[18.3.0]tricosa-20,22-diene-7,10,17-trione (CID 132583513) is 8-oxa-1,11,18,21,22,23-hexazabicyclo[18.3.0]tricosa-20,22-diene-7,10,17-trione.
What is the SMILES notation for 8-oxa-1,11,18,21,22,23-hexazabicyclo[18.3.0]tricosa-20,22-diene-7,10,17-trione?
The canonical SMILES for 8-oxa-1,11,18,21,22,23-hexazabicyclo[18.3.0]tricosa-20,22-diene-7,10,17-trione is O=C1CCCCCNC(=O)COC(=O)CCCCCn2nnnc2CN1.
What is the InChIKey of 8-oxa-1,11,18,21,22,23-hexazabicyclo[18.3.0]tricosa-20,22-diene-7,10,17-trione?
The InChIKey is QJRXDFWFGDLGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O4/c23-14-7-3-1-5-9-17-15(24)12-26-16(25)8-4-2-6-10-22-13(11-18-14)19-20-21-22/h1-12H2,(H,17,24)(H,18,23).
What are the key properties of 8-oxa-1,11,18,21,22,23-hexazabicyclo[18.3.0]tricosa-20,22-diene-7,10,17-trione?
8-oxa-1,11,18,21,22,23-hexazabicyclo[18.3.0]tricosa-20,22-diene-7,10,17-trione has a molecular weight of 366.42 g/mol, XLogP of 0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-1,11,18,21,22,23-hexazabicyclo[18.3.0]tricosa-20,22-diene-7,10,17-trione is sourced from PubChem (CID 132583513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).