9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione

C15H8N2O2 — CID 53473843

IUPAC9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
SMILESO=C1c2cccnc2-c2[nH]c(=O)c3ccccc3c21
InChIInChI=1S/C15H8N2O2/c18-14-10-6-3-7-16-12(10)13-11(14)8-4-1-2-5-9(8)15(19)17-13/h1-7H,(H,17,19)
InChIKeyIIGBKLOEERSHAC-UHFFFAOYSA-N
MW248.24 g/mol
LogP2.13
Rot. Bonds

About 9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione

9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione (PubChem CID 53473843) has the molecular formula C15H8N2O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione.

Molecular Properties

Compound Name9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
PubChem CID53473843
Molecular FormulaC15H8N2O2
Molecular Weight248.24 g/mol
Exact Mass248.06
IUPAC Name9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione
SMILESO=C1c2cccnc2-c2[nH]c(=O)c3ccccc3c21
InChIInChI=1S/C15H8N2O2/c18-14-10-6-3-7-16-12(10)13-11(14)8-4-1-2-5-9(8)15(19)17-13/h1-7H,(H,17,19)
InChIKeyIIGBKLOEERSHAC-UHFFFAOYSA-N
XLogP2.13
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione?
The IUPAC name of 9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione (CID 53473843) is 9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione.
What is the SMILES notation for 9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione?
The canonical SMILES for 9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione is O=C1c2cccnc2-c2[nH]c(=O)c3ccccc3c21.
What is the InChIKey of 9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione?
The InChIKey is IIGBKLOEERSHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O2/c18-14-10-6-3-7-16-12(10)13-11(14)8-4-1-2-5-9(8)15(19)17-13/h1-7H,(H,17,19).
What are the key properties of 9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione?
9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione has a molecular weight of 248.24 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),12,14-heptaene-8,17-dione is sourced from PubChem (CID 53473843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).