16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,12,14-heptaene-8,11-dione

C16H9NO2 — CID 25221889

IUPAC16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,12,14-heptaene-8,11-dione
SMILESO=c1cc2cc[nH]c3c4ccccc4c(=O)c(c1)c23
InChIInChI=1S/C16H9NO2/c18-10-7-9-5-6-17-15-11-3-1-2-4-12(11)16(19)13(8-10)14(9)15/h1-8,17H
InChIKeyLCHJKKIQSUFFLT-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.63
Rot. Bonds

About 16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,12,14-heptaene-8,11-dione

16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,12,14-heptaene-8,11-dione (PubChem CID 25221889) has the molecular formula C16H9NO2 and a molecular weight of 247.25 g/mol. Its IUPAC name is 16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,12,14-heptaene-8,11-dione.

Molecular Properties

Compound Name16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,12,14-heptaene-8,11-dione
PubChem CID25221889
Molecular FormulaC16H9NO2
Molecular Weight247.25 g/mol
Exact Mass247.06
IUPAC Name16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,12,14-heptaene-8,11-dione
SMILESO=c1cc2cc[nH]c3c4ccccc4c(=O)c(c1)c23
InChIInChI=1S/C16H9NO2/c18-10-7-9-5-6-17-15-11-3-1-2-4-12(11)16(19)13(8-10)14(9)15/h1-8,17H
InChIKeyLCHJKKIQSUFFLT-UHFFFAOYSA-N
XLogP2.63
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,12,14-heptaene-8,11-dione?
The IUPAC name of 16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,12,14-heptaene-8,11-dione (CID 25221889) is 16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,12,14-heptaene-8,11-dione.
What is the SMILES notation for 16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,12,14-heptaene-8,11-dione?
The canonical SMILES for 16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,12,14-heptaene-8,11-dione is O=c1cc2cc[nH]c3c4ccccc4c(=O)c(c1)c23.
What is the InChIKey of 16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,12,14-heptaene-8,11-dione?
The InChIKey is LCHJKKIQSUFFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9NO2/c18-10-7-9-5-6-17-15-11-3-1-2-4-12(11)16(19)13(8-10)14(9)15/h1-8,17H.
What are the key properties of 16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,12,14-heptaene-8,11-dione?
16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,12,14-heptaene-8,11-dione has a molecular weight of 247.25 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,12,14-heptaene-8,11-dione is sourced from PubChem (CID 25221889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).