15-oxa-9,18-diazatetracyclo[8.8.1.02,8.014,19]nonadeca-1,8,10(19),11,13-pentaen-17-one

C16H16N2O2 — CID 54523545

IUPAC15-oxa-9,18-diazatetracyclo[8.8.1.02,8.014,19]nonadeca-1,8,10(19),11,13-pentaen-17-one
SMILESO=C1COc2cccc3nc4c(c(c23)N1)CCCCC4
InChIInChI=1S/C16H16N2O2/c19-14-9-20-13-8-4-7-12-15(13)16(18-14)10-5-2-1-3-6-11(10)17-12/h4,7-8H,1-3,5-6,9H2,(H,18,19)
InChIKeyYRNJXJIVNPBLMF-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.83
Rot. Bonds

About 15-oxa-9,18-diazatetracyclo[8.8.1.02,8.014,19]nonadeca-1,8,10(19),11,13-pentaen-17-one

15-oxa-9,18-diazatetracyclo[8.8.1.02,8.014,19]nonadeca-1,8,10(19),11,13-pentaen-17-one (PubChem CID 54523545) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 15-oxa-9,18-diazatetracyclo[8.8.1.02,8.014,19]nonadeca-1,8,10(19),11,13-pentaen-17-one.

Molecular Properties

Compound Name15-oxa-9,18-diazatetracyclo[8.8.1.02,8.014,19]nonadeca-1,8,10(19),11,13-pentaen-17-one
PubChem CID54523545
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name15-oxa-9,18-diazatetracyclo[8.8.1.02,8.014,19]nonadeca-1,8,10(19),11,13-pentaen-17-one
SMILESO=C1COc2cccc3nc4c(c(c23)N1)CCCCC4
InChIInChI=1S/C16H16N2O2/c19-14-9-20-13-8-4-7-12-15(13)16(18-14)10-5-2-1-3-6-11(10)17-12/h4,7-8H,1-3,5-6,9H2,(H,18,19)
InChIKeyYRNJXJIVNPBLMF-UHFFFAOYSA-N
XLogP2.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 15-oxa-9,18-diazatetracyclo[8.8.1.02,8.014,19]nonadeca-1,8,10(19),11,13-pentaen-17-one 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 15-oxa-9,18-diazatetracyclo[8.8.1.02,8.014,19]nonadeca-1,8,10(19),11,13-pentaen-17-one?
The IUPAC name of 15-oxa-9,18-diazatetracyclo[8.8.1.02,8.014,19]nonadeca-1,8,10(19),11,13-pentaen-17-one (CID 54523545) is 15-oxa-9,18-diazatetracyclo[8.8.1.02,8.014,19]nonadeca-1,8,10(19),11,13-pentaen-17-one.
What is the SMILES notation for 15-oxa-9,18-diazatetracyclo[8.8.1.02,8.014,19]nonadeca-1,8,10(19),11,13-pentaen-17-one?
The canonical SMILES for 15-oxa-9,18-diazatetracyclo[8.8.1.02,8.014,19]nonadeca-1,8,10(19),11,13-pentaen-17-one is O=C1COc2cccc3nc4c(c(c23)N1)CCCCC4.
What is the InChIKey of 15-oxa-9,18-diazatetracyclo[8.8.1.02,8.014,19]nonadeca-1,8,10(19),11,13-pentaen-17-one?
The InChIKey is YRNJXJIVNPBLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-14-9-20-13-8-4-7-12-15(13)16(18-14)10-5-2-1-3-6-11(10)17-12/h4,7-8H,1-3,5-6,9H2,(H,18,19).
What are the key properties of 15-oxa-9,18-diazatetracyclo[8.8.1.02,8.014,19]nonadeca-1,8,10(19),11,13-pentaen-17-one?
15-oxa-9,18-diazatetracyclo[8.8.1.02,8.014,19]nonadeca-1,8,10(19),11,13-pentaen-17-one has a molecular weight of 268.32 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-oxa-9,18-diazatetracyclo[8.8.1.02,8.014,19]nonadeca-1,8,10(19),11,13-pentaen-17-one is sourced from PubChem (CID 54523545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).