5,11-dimethoxybenzo[c][1,5]benzodiazocine-6,12-dione

C16H14N2O4 — CID 102006402

IUPAC5,11-dimethoxybenzo[c][1,5]benzodiazocine-6,12-dione
SMILESCON1C(=O)c2ccccc2N(OC)C(=O)c2ccccc21
InChIInChI=1S/C16H14N2O4/c1-21-17-13-9-5-3-7-11(13)16(20)18(22-2)14-10-6-4-8-12(14)15(17)19/h3-10H,1-2H3
InChIKeyPZGGWEWXUFMFSD-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.42
Rot. Bonds2

About 5,11-dimethoxybenzo[c][1,5]benzodiazocine-6,12-dione

5,11-dimethoxybenzo[c][1,5]benzodiazocine-6,12-dione (PubChem CID 102006402) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 5,11-dimethoxybenzo[c][1,5]benzodiazocine-6,12-dione.

Molecular Properties

Compound Name5,11-dimethoxybenzo[c][1,5]benzodiazocine-6,12-dione
PubChem CID102006402
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name5,11-dimethoxybenzo[c][1,5]benzodiazocine-6,12-dione
SMILESCON1C(=O)c2ccccc2N(OC)C(=O)c2ccccc21
InChIInChI=1S/C16H14N2O4/c1-21-17-13-9-5-3-7-11(13)16(20)18(22-2)14-10-6-4-8-12(14)15(17)19/h3-10H,1-2H3
InChIKeyPZGGWEWXUFMFSD-UHFFFAOYSA-N
XLogP2.42
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,11-dimethoxybenzo[c][1,5]benzodiazocine-6,12-dione?
The IUPAC name of 5,11-dimethoxybenzo[c][1,5]benzodiazocine-6,12-dione (CID 102006402) is 5,11-dimethoxybenzo[c][1,5]benzodiazocine-6,12-dione.
What is the SMILES notation for 5,11-dimethoxybenzo[c][1,5]benzodiazocine-6,12-dione?
The canonical SMILES for 5,11-dimethoxybenzo[c][1,5]benzodiazocine-6,12-dione is CON1C(=O)c2ccccc2N(OC)C(=O)c2ccccc21.
What is the InChIKey of 5,11-dimethoxybenzo[c][1,5]benzodiazocine-6,12-dione?
The InChIKey is PZGGWEWXUFMFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-21-17-13-9-5-3-7-11(13)16(20)18(22-2)14-10-6-4-8-12(14)15(17)19/h3-10H,1-2H3.
What are the key properties of 5,11-dimethoxybenzo[c][1,5]benzodiazocine-6,12-dione?
5,11-dimethoxybenzo[c][1,5]benzodiazocine-6,12-dione has a molecular weight of 298.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethoxybenzo[c][1,5]benzodiazocine-6,12-dione is sourced from PubChem (CID 102006402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).