2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione

C14H6N2O2 — CID 85436629

IUPAC2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione
SMILESO=c1nc2cccc3c(=O)nc4cccc1c4=c23
InChIInChI=1S/C14H6N2O2/c17-13-7-3-1-5-9-11(7)12-8(14(18)15-9)4-2-6-10(12)16-13/h1-6H
InChIKeyOEMYZFFUEMRORO-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.10
Rot. Bonds

About 2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione

2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione (PubChem CID 85436629) has the molecular formula C14H6N2O2 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione.

Molecular Properties

Compound Name2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione
PubChem CID85436629
Molecular FormulaC14H6N2O2
Molecular Weight234.21 g/mol
Exact Mass234.04
IUPAC Name2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione
SMILESO=c1nc2cccc3c(=O)nc4cccc1c4=c23
InChIInChI=1S/C14H6N2O2/c17-13-7-3-1-5-9-11(7)12-8(14(18)15-9)4-2-6-10(12)16-13/h1-6H
InChIKeyOEMYZFFUEMRORO-UHFFFAOYSA-N
XLogP1.10
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione?
The IUPAC name of 2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione (CID 85436629) is 2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione.
What is the SMILES notation for 2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione?
The canonical SMILES for 2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione is O=c1nc2cccc3c(=O)nc4cccc1c4=c23.
What is the InChIKey of 2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione?
The InChIKey is OEMYZFFUEMRORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6N2O2/c17-13-7-3-1-5-9-11(7)12-8(14(18)15-9)4-2-6-10(12)16-13/h1-6H.
What are the key properties of 2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione?
2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione has a molecular weight of 234.21 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione is sourced from PubChem (CID 85436629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).