4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,10,12,14-pentaene

C13H12N2O — CID 24864743

IUPAC4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,10,12,14-pentaene
SMILESC1=C2c3[nH]c4ccccc4c3CCN2CO1
InChIInChI=1S/C13H12N2O/c1-2-4-11-9(3-1)10-5-6-15-8-16-7-12(15)13(10)14-11/h1-4,7,14H,5-6,8H2
InChIKeyGBHCSHGTOFTCDL-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.31
Rot. Bonds

About 4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,10,12,14-pentaene

4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,10,12,14-pentaene (PubChem CID 24864743) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,10,12,14-pentaene.

Molecular Properties

Compound Name4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,10,12,14-pentaene
PubChem CID24864743
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,10,12,14-pentaene
SMILESC1=C2c3[nH]c4ccccc4c3CCN2CO1
InChIInChI=1S/C13H12N2O/c1-2-4-11-9(3-1)10-5-6-15-8-16-7-12(15)13(10)14-11/h1-4,7,14H,5-6,8H2
InChIKeyGBHCSHGTOFTCDL-UHFFFAOYSA-N
XLogP2.31
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,10,12,14-pentaene with MolForge

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Related Compounds

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CID 102286615
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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(9),2,10,12,14-pentaene?
The IUPAC name of 4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,10,12,14-pentaene (CID 24864743) is 4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,10,12,14-pentaene.
What is the SMILES notation for 4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,10,12,14-pentaene?
The canonical SMILES for 4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,10,12,14-pentaene is C1=C2c3[nH]c4ccccc4c3CCN2CO1.
What is the InChIKey of 4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,10,12,14-pentaene?
The InChIKey is GBHCSHGTOFTCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-2-4-11-9(3-1)10-5-6-15-8-16-7-12(15)13(10)14-11/h1-4,7,14H,5-6,8H2.
What are the key properties of 4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,10,12,14-pentaene?
4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,10,12,14-pentaene has a molecular weight of 212.25 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 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(9),2,10,12,14-pentaene is sourced from PubChem (CID 24864743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).