9,18-diazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,12,14,16-heptaene-10,19-dione

C17H12N2O2 — CID 46223187

IUPAC9,18-diazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,12,14,16-heptaene-10,19-dione
SMILESO=C1Nc2ccccc2Cc2c1c1ccccc1[nH]c2=O
InChIInChI=1S/C17H12N2O2/c20-16-12-9-10-5-1-3-7-13(10)18-17(21)15(12)11-6-2-4-8-14(11)19-16/h1-8H,9H2,(H,18,21)(H,19,20)
InChIKeyVNMGZALMFBUKDY-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.68
Rot. Bonds

About 9,18-diazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,12,14,16-heptaene-10,19-dione

9,18-diazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,12,14,16-heptaene-10,19-dione (PubChem CID 46223187) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 9,18-diazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,12,14,16-heptaene-10,19-dione.

Molecular Properties

Compound Name9,18-diazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,12,14,16-heptaene-10,19-dione
PubChem CID46223187
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name9,18-diazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,12,14,16-heptaene-10,19-dione
SMILESO=C1Nc2ccccc2Cc2c1c1ccccc1[nH]c2=O
InChIInChI=1S/C17H12N2O2/c20-16-12-9-10-5-1-3-7-13(10)18-17(21)15(12)11-6-2-4-8-14(11)19-16/h1-8H,9H2,(H,18,21)(H,19,20)
InChIKeyVNMGZALMFBUKDY-UHFFFAOYSA-N
XLogP2.68
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,18-diazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,12,14,16-heptaene-10,19-dione?
The IUPAC name of 9,18-diazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,12,14,16-heptaene-10,19-dione (CID 46223187) is 9,18-diazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,12,14,16-heptaene-10,19-dione.
What is the SMILES notation for 9,18-diazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,12,14,16-heptaene-10,19-dione?
The canonical SMILES for 9,18-diazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,12,14,16-heptaene-10,19-dione is O=C1Nc2ccccc2Cc2c1c1ccccc1[nH]c2=O.
What is the InChIKey of 9,18-diazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,12,14,16-heptaene-10,19-dione?
The InChIKey is VNMGZALMFBUKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-16-12-9-10-5-1-3-7-13(10)18-17(21)15(12)11-6-2-4-8-14(11)19-16/h1-8H,9H2,(H,18,21)(H,19,20).
What are the key properties of 9,18-diazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,12,14,16-heptaene-10,19-dione?
9,18-diazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,12,14,16-heptaene-10,19-dione has a molecular weight of 276.30 g/mol, XLogP of 2.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,18-diazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,12,14,16-heptaene-10,19-dione is sourced from PubChem (CID 46223187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).