6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione

C16H10N2O2 — CID 51038700

IUPAC6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione
SMILESO=c1c(=O)c2c1[nH]c1ccccc1[nH]c1ccccc12
InChIInChI=1S/C16H10N2O2/c19-15-13-9-5-1-2-6-10(9)17-11-7-3-4-8-12(11)18-14(13)16(15)20/h1-8,17-18H
InChIKeyRXGOCGKHDWPIRA-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.52
Rot. Bonds

About 6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione

6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione (PubChem CID 51038700) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione.

Molecular Properties

Compound Name6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione
PubChem CID51038700
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione
SMILESO=c1c(=O)c2c1[nH]c1ccccc1[nH]c1ccccc12
InChIInChI=1S/C16H10N2O2/c19-15-13-9-5-1-2-6-10(9)17-11-7-3-4-8-12(11)18-14(13)16(15)20/h1-8,17-18H
InChIKeyRXGOCGKHDWPIRA-UHFFFAOYSA-N
XLogP2.52
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione?
The IUPAC name of 6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione (CID 51038700) is 6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione.
What is the SMILES notation for 6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione?
The canonical SMILES for 6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione is O=c1c(=O)c2c1[nH]c1ccccc1[nH]c1ccccc12.
What is the InChIKey of 6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione?
The InChIKey is RXGOCGKHDWPIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c19-15-13-9-5-1-2-6-10(9)17-11-7-3-4-8-12(11)18-14(13)16(15)20/h1-8,17-18H.
What are the key properties of 6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione?
6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione has a molecular weight of 262.27 g/mol, XLogP of 2.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione is sourced from PubChem (CID 51038700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).