4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,7,9,11,13,15-hexaene

C13H10N2O — CID 69478155

IUPAC4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,7,9,11,13,15-hexaene
SMILESc1ccc2c3ccn4c(c-3nc2c1)COC4
InChIInChI=1S/C13H10N2O/c1-2-4-11-9(3-1)10-5-6-15-8-16-7-12(15)13(10)14-11/h1-6H,7-8H2
InChIKeyDWCMBBNBICLXEY-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.63
Rot. Bonds

About 4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,7,9,11,13,15-hexaene

4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,7,9,11,13,15-hexaene (PubChem CID 69478155) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,7,9,11,13,15-hexaene.

Molecular Properties

Compound Name4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,7,9,11,13,15-hexaene
PubChem CID69478155
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,7,9,11,13,15-hexaene
SMILESc1ccc2c3ccn4c(c-3nc2c1)COC4
InChIInChI=1S/C13H10N2O/c1-2-4-11-9(3-1)10-5-6-15-8-16-7-12(15)13(10)14-11/h1-6H,7-8H2
InChIKeyDWCMBBNBICLXEY-UHFFFAOYSA-N
XLogP2.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,7,9,11,13,15-hexaene?
The IUPAC name of 4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,7,9,11,13,15-hexaene (CID 69478155) is 4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,7,9,11,13,15-hexaene.
What is the SMILES notation for 4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,7,9,11,13,15-hexaene?
The canonical SMILES for 4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,7,9,11,13,15-hexaene is c1ccc2c3ccn4c(c-3nc2c1)COC4.
What is the InChIKey of 4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,7,9,11,13,15-hexaene?
The InChIKey is DWCMBBNBICLXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-2-4-11-9(3-1)10-5-6-15-8-16-7-12(15)13(10)14-11/h1-6H,7-8H2.
What are the key properties of 4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,7,9,11,13,15-hexaene?
4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,7,9,11,13,15-hexaene has a molecular weight of 210.24 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,7,9,11,13,15-hexaene is sourced from PubChem (CID 69478155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).