11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione

C14H7N3O2 — CID 15760733

IUPAC11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione
SMILESO=C1C(=O)c2c(nc3ncccn23)-c2ccccc21
InChIInChI=1S/C14H7N3O2/c18-12-9-5-2-1-4-8(9)10-11(13(12)19)17-7-3-6-15-14(17)16-10/h1-7H
InChIKeyGKTWMKZOHJRQNH-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.78
Rot. Bonds

About 11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione

11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione (PubChem CID 15760733) has the molecular formula C14H7N3O2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione.

Molecular Properties

Compound Name11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione
PubChem CID15760733
Molecular FormulaC14H7N3O2
Molecular Weight249.23 g/mol
Exact Mass249.05
IUPAC Name11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione
SMILESO=C1C(=O)c2c(nc3ncccn23)-c2ccccc21
InChIInChI=1S/C14H7N3O2/c18-12-9-5-2-1-4-8(9)10-11(13(12)19)17-7-3-6-15-14(17)16-10/h1-7H
InChIKeyGKTWMKZOHJRQNH-UHFFFAOYSA-N
XLogP1.78
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione?
The IUPAC name of 11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione (CID 15760733) is 11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione.
What is the SMILES notation for 11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione?
The canonical SMILES for 11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione is O=C1C(=O)c2c(nc3ncccn23)-c2ccccc21.
What is the InChIKey of 11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione?
The InChIKey is GKTWMKZOHJRQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7N3O2/c18-12-9-5-2-1-4-8(9)10-11(13(12)19)17-7-3-6-15-14(17)16-10/h1-7H.
What are the key properties of 11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione?
11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione has a molecular weight of 249.23 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11,15,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione is sourced from PubChem (CID 15760733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).