4a,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoline-2,5-dione

C13H15NO2 — CID 76724076

IUPAC4a,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoline-2,5-dione
SMILESO=C1C=CC2C(=O)C3CCCCC3CC2=N1
InChIInChI=1S/C13H15NO2/c15-12-6-5-10-11(14-12)7-8-3-1-2-4-9(8)13(10)16/h5-6,8-10H,1-4,7H2
InChIKeyQTXCNEGQQBDTSF-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.92
Rot. Bonds

About 4a,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoline-2,5-dione

4a,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoline-2,5-dione (PubChem CID 76724076) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 4a,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoline-2,5-dione.

Molecular Properties

Compound Name4a,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoline-2,5-dione
PubChem CID76724076
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name4a,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoline-2,5-dione
SMILESO=C1C=CC2C(=O)C3CCCCC3CC2=N1
InChIInChI=1S/C13H15NO2/c15-12-6-5-10-11(14-12)7-8-3-1-2-4-9(8)13(10)16/h5-6,8-10H,1-4,7H2
InChIKeyQTXCNEGQQBDTSF-UHFFFAOYSA-N
XLogP1.92
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4a,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoline-2,5-dione?
The IUPAC name of 4a,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoline-2,5-dione (CID 76724076) is 4a,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoline-2,5-dione.
What is the SMILES notation for 4a,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoline-2,5-dione?
The canonical SMILES for 4a,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoline-2,5-dione is O=C1C=CC2C(=O)C3CCCCC3CC2=N1.
What is the InChIKey of 4a,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoline-2,5-dione?
The InChIKey is QTXCNEGQQBDTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-12-6-5-10-11(14-12)7-8-3-1-2-4-9(8)13(10)16/h5-6,8-10H,1-4,7H2.
What are the key properties of 4a,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoline-2,5-dione?
4a,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoline-2,5-dione has a molecular weight of 217.27 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoline-2,5-dione is sourced from PubChem (CID 76724076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).