13-oxa-2,3-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene

C15H10N2O — CID 66771411

IUPAC13-oxa-2,3-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene
SMILESc1ccc2c(c1)Oc1ccccc1-n1nccc1-2
InChIInChI=1S/C15H10N2O/c1-3-7-14-11(5-1)12-9-10-16-17(12)13-6-2-4-8-15(13)18-14/h1-10H
InChIKeyNDZMBFSZAIMZJZ-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.64
Rot. Bonds

About 13-oxa-2,3-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene

13-oxa-2,3-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene (PubChem CID 66771411) has the molecular formula C15H10N2O and a molecular weight of 234.26 g/mol. Its IUPAC name is 13-oxa-2,3-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene.

Molecular Properties

Compound Name13-oxa-2,3-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene
PubChem CID66771411
Molecular FormulaC15H10N2O
Molecular Weight234.26 g/mol
Exact Mass234.08
IUPAC Name13-oxa-2,3-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene
SMILESc1ccc2c(c1)Oc1ccccc1-n1nccc1-2
InChIInChI=1S/C15H10N2O/c1-3-7-14-11(5-1)12-9-10-16-17(12)13-6-2-4-8-15(13)18-14/h1-10H
InChIKeyNDZMBFSZAIMZJZ-UHFFFAOYSA-N
XLogP3.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 13-oxa-2,3-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene?
The IUPAC name of 13-oxa-2,3-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene (CID 66771411) is 13-oxa-2,3-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene.
What is the SMILES notation for 13-oxa-2,3-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene?
The canonical SMILES for 13-oxa-2,3-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene is c1ccc2c(c1)Oc1ccccc1-n1nccc1-2.
What is the InChIKey of 13-oxa-2,3-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene?
The InChIKey is NDZMBFSZAIMZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O/c1-3-7-14-11(5-1)12-9-10-16-17(12)13-6-2-4-8-15(13)18-14/h1-10H.
What are the key properties of 13-oxa-2,3-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene?
13-oxa-2,3-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene has a molecular weight of 234.26 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-oxa-2,3-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene is sourced from PubChem (CID 66771411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).