2,5,11,14-tetraoxa-19,20-diazatricyclo[13.3.1.16,10]icosa-1(19),6(20),7,9,15,17-hexaene

C14H14N2O4 — CID 5257765

IUPAC2,5,11,14-tetraoxa-19,20-diazatricyclo[13.3.1.16,10]icosa-1(19),6(20),7,9,15,17-hexaene
SMILESc1cc2nc(c1)OCCOc1cccc(n1)OCCO2
InChIInChI=1S/C14H14N2O4/c1-3-11-15-12(4-1)18-8-10-20-14-6-2-5-13(16-14)19-9-7-17-11/h1-6H,7-10H2
InChIKeyCVPXBRPWSMRVGY-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.71
Rot. Bonds

About 2,5,11,14-tetraoxa-19,20-diazatricyclo[13.3.1.16,10]icosa-1(19),6(20),7,9,15,17-hexaene

2,5,11,14-tetraoxa-19,20-diazatricyclo[13.3.1.16,10]icosa-1(19),6(20),7,9,15,17-hexaene (PubChem CID 5257765) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2,5,11,14-tetraoxa-19,20-diazatricyclo[13.3.1.16,10]icosa-1(19),6(20),7,9,15,17-hexaene.

Molecular Properties

Compound Name2,5,11,14-tetraoxa-19,20-diazatricyclo[13.3.1.16,10]icosa-1(19),6(20),7,9,15,17-hexaene
PubChem CID5257765
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2,5,11,14-tetraoxa-19,20-diazatricyclo[13.3.1.16,10]icosa-1(19),6(20),7,9,15,17-hexaene
SMILESc1cc2nc(c1)OCCOc1cccc(n1)OCCO2
InChIInChI=1S/C14H14N2O4/c1-3-11-15-12(4-1)18-8-10-20-14-6-2-5-13(16-14)19-9-7-17-11/h1-6H,7-10H2
InChIKeyCVPXBRPWSMRVGY-UHFFFAOYSA-N
XLogP1.71
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5,11,14-tetraoxa-19,20-diazatricyclo[13.3.1.16,10]icosa-1(19),6(20),7,9,15,17-hexaene?
The IUPAC name of 2,5,11,14-tetraoxa-19,20-diazatricyclo[13.3.1.16,10]icosa-1(19),6(20),7,9,15,17-hexaene (CID 5257765) is 2,5,11,14-tetraoxa-19,20-diazatricyclo[13.3.1.16,10]icosa-1(19),6(20),7,9,15,17-hexaene.
What is the SMILES notation for 2,5,11,14-tetraoxa-19,20-diazatricyclo[13.3.1.16,10]icosa-1(19),6(20),7,9,15,17-hexaene?
The canonical SMILES for 2,5,11,14-tetraoxa-19,20-diazatricyclo[13.3.1.16,10]icosa-1(19),6(20),7,9,15,17-hexaene is c1cc2nc(c1)OCCOc1cccc(n1)OCCO2.
What is the InChIKey of 2,5,11,14-tetraoxa-19,20-diazatricyclo[13.3.1.16,10]icosa-1(19),6(20),7,9,15,17-hexaene?
The InChIKey is CVPXBRPWSMRVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-3-11-15-12(4-1)18-8-10-20-14-6-2-5-13(16-14)19-9-7-17-11/h1-6H,7-10H2.
What are the key properties of 2,5,11,14-tetraoxa-19,20-diazatricyclo[13.3.1.16,10]icosa-1(19),6(20),7,9,15,17-hexaene?
2,5,11,14-tetraoxa-19,20-diazatricyclo[13.3.1.16,10]icosa-1(19),6(20),7,9,15,17-hexaene has a molecular weight of 274.28 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,11,14-tetraoxa-19,20-diazatricyclo[13.3.1.16,10]icosa-1(19),6(20),7,9,15,17-hexaene is sourced from PubChem (CID 5257765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).