14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione

C16H9NO2 — CID 824419

IUPAC14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
SMILESO=C1c2ccccc2-c2cc(=O)[nH]c3cccc1c23
InChIInChI=1S/C16H9NO2/c18-14-8-12-9-4-1-2-5-10(9)16(19)11-6-3-7-13(17-14)15(11)12/h1-8H,(H,17,18)
InChIKeyCTSKAPUYEZZYQA-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.74
Rot. Bonds

About 14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione

14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione (PubChem CID 824419) has the molecular formula C16H9NO2 and a molecular weight of 247.25 g/mol. Its IUPAC name is 14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione.

Molecular Properties

Compound Name14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
PubChem CID824419
Molecular FormulaC16H9NO2
Molecular Weight247.25 g/mol
Exact Mass247.06
IUPAC Name14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
SMILESO=C1c2ccccc2-c2cc(=O)[nH]c3cccc1c23
InChIInChI=1S/C16H9NO2/c18-14-8-12-9-4-1-2-5-10(9)16(19)11-6-3-7-13(17-14)15(11)12/h1-8H,(H,17,18)
InChIKeyCTSKAPUYEZZYQA-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione?
The IUPAC name of 14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione (CID 824419) is 14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione.
What is the SMILES notation for 14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione?
The canonical SMILES for 14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione is O=C1c2ccccc2-c2cc(=O)[nH]c3cccc1c23.
What is the InChIKey of 14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione?
The InChIKey is CTSKAPUYEZZYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9NO2/c18-14-8-12-9-4-1-2-5-10(9)16(19)11-6-3-7-13(17-14)15(11)12/h1-8H,(H,17,18).
What are the key properties of 14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione?
14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione has a molecular weight of 247.25 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione is sourced from PubChem (CID 824419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).