8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11-pentaen-14-one

C14H12N2O2 — CID 57219649

IUPAC8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11-pentaen-14-one
SMILESO=C1NNC2c3ccccc3OC3=CC=CC1C32
InChIInChI=1S/C14H12N2O2/c17-14-9-5-3-7-11-12(9)13(15-16-14)8-4-1-2-6-10(8)18-11/h1-7,9,12-13,15H,(H,16,17)
InChIKeyCNPVDLKHHCXRIG-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.44
Rot. Bonds

About 8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11-pentaen-14-one

8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11-pentaen-14-one (PubChem CID 57219649) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11-pentaen-14-one.

Molecular Properties

Compound Name8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11-pentaen-14-one
PubChem CID57219649
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11-pentaen-14-one
SMILESO=C1NNC2c3ccccc3OC3=CC=CC1C32
InChIInChI=1S/C14H12N2O2/c17-14-9-5-3-7-11-12(9)13(15-16-14)8-4-1-2-6-10(8)18-11/h1-7,9,12-13,15H,(H,16,17)
InChIKeyCNPVDLKHHCXRIG-UHFFFAOYSA-N
XLogP1.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11-pentaen-14-one?
The IUPAC name of 8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11-pentaen-14-one (CID 57219649) is 8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11-pentaen-14-one.
What is the SMILES notation for 8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11-pentaen-14-one?
The canonical SMILES for 8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11-pentaen-14-one is O=C1NNC2c3ccccc3OC3=CC=CC1C32.
What is the InChIKey of 8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11-pentaen-14-one?
The InChIKey is CNPVDLKHHCXRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-14-9-5-3-7-11-12(9)13(15-16-14)8-4-1-2-6-10(8)18-11/h1-7,9,12-13,15H,(H,16,17).
What are the key properties of 8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11-pentaen-14-one?
8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11-pentaen-14-one has a molecular weight of 240.26 g/mol, XLogP of 1.44, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11-pentaen-14-one is sourced from PubChem (CID 57219649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).