16-oxa-5,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,3,6,8,10,12,14-heptaene

C13H8N2O — CID 118262872

IUPAC16-oxa-5,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,3,6,8,10,12,14-heptaene
SMILESc1ccc2c(c1)oc1c3cc[nH]c3ncc21
InChIInChI=1S/C13H8N2O/c1-2-4-11-8(3-1)10-7-15-13-9(5-6-14-13)12(10)16-11/h1-7H,(H,14,15)
InChIKeyLEUHRYWDNMJCGE-UHFFFAOYSA-N
MW208.22 g/mol
LogP3.46
Rot. Bonds

About 16-oxa-5,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,3,6,8,10,12,14-heptaene

16-oxa-5,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,3,6,8,10,12,14-heptaene (PubChem CID 118262872) has the molecular formula C13H8N2O and a molecular weight of 208.22 g/mol. Its IUPAC name is 16-oxa-5,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,3,6,8,10,12,14-heptaene.

Molecular Properties

Compound Name16-oxa-5,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,3,6,8,10,12,14-heptaene
PubChem CID118262872
Molecular FormulaC13H8N2O
Molecular Weight208.22 g/mol
Exact Mass208.06
IUPAC Name16-oxa-5,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,3,6,8,10,12,14-heptaene
SMILESc1ccc2c(c1)oc1c3cc[nH]c3ncc21
InChIInChI=1S/C13H8N2O/c1-2-4-11-8(3-1)10-7-15-13-9(5-6-14-13)12(10)16-11/h1-7H,(H,14,15)
InChIKeyLEUHRYWDNMJCGE-UHFFFAOYSA-N
XLogP3.46
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 16-oxa-5,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,3,6,8,10,12,14-heptaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 16-oxa-5,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,3,6,8,10,12,14-heptaene?
The IUPAC name of 16-oxa-5,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,3,6,8,10,12,14-heptaene (CID 118262872) is 16-oxa-5,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,3,6,8,10,12,14-heptaene.
What is the SMILES notation for 16-oxa-5,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,3,6,8,10,12,14-heptaene?
The canonical SMILES for 16-oxa-5,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,3,6,8,10,12,14-heptaene is c1ccc2c(c1)oc1c3cc[nH]c3ncc21.
What is the InChIKey of 16-oxa-5,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,3,6,8,10,12,14-heptaene?
The InChIKey is LEUHRYWDNMJCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O/c1-2-4-11-8(3-1)10-7-15-13-9(5-6-14-13)12(10)16-11/h1-7H,(H,14,15).
What are the key properties of 16-oxa-5,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,3,6,8,10,12,14-heptaene?
16-oxa-5,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,3,6,8,10,12,14-heptaene has a molecular weight of 208.22 g/mol, XLogP of 3.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-oxa-5,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,3,6,8,10,12,14-heptaene is sourced from PubChem (CID 118262872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).