8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

C14H8N2O — CID 135122005

IUPAC8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
SMILESc1ccc2c(c1)Oc1nccc3nccc-2c13
InChIInChI=1S/C14H8N2O/c1-2-4-12-9(3-1)10-5-7-15-11-6-8-16-14(17-12)13(10)11/h1-8H
InChIKeyISPBJGKVTKBJRI-UHFFFAOYSA-N
MW220.23 g/mol
LogP3.40
Rot. Bonds

About 8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene

8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene (PubChem CID 135122005) has the molecular formula C14H8N2O and a molecular weight of 220.23 g/mol. Its IUPAC name is 8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene.

Molecular Properties

Compound Name8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
PubChem CID135122005
Molecular FormulaC14H8N2O
Molecular Weight220.23 g/mol
Exact Mass220.06
IUPAC Name8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
SMILESc1ccc2c(c1)Oc1nccc3nccc-2c13
InChIInChI=1S/C14H8N2O/c1-2-4-12-9(3-1)10-5-7-15-11-6-8-16-14(17-12)13(10)11/h1-8H
InChIKeyISPBJGKVTKBJRI-UHFFFAOYSA-N
XLogP3.40
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The IUPAC name of 8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene (CID 135122005) is 8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene.
What is the SMILES notation for 8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The canonical SMILES for 8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene is c1ccc2c(c1)Oc1nccc3nccc-2c13.
What is the InChIKey of 8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
The InChIKey is ISPBJGKVTKBJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O/c1-2-4-12-9(3-1)10-5-7-15-11-6-8-16-14(17-12)13(10)11/h1-8H.
What are the key properties of 8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene?
8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene has a molecular weight of 220.23 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene is sourced from PubChem (CID 135122005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).