4-quinolin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C18H14N2O2 — CID 2928182

IUPAC4-quinolin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1C2C3C=CC(C3)C2C(=O)N1c1ccc2ccccc2n1
InChIInChI=1S/C18H14N2O2/c21-17-15-11-5-6-12(9-11)16(15)18(22)20(17)14-8-7-10-3-1-2-4-13(10)19-14/h1-8,11-12,15-16H,9H2
InChIKeyGUYCQLRBHUURQF-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.55
Rot. Bonds1

About 4-quinolin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

4-quinolin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 2928182) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-quinolin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name4-quinolin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID2928182
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name4-quinolin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESO=C1C2C3C=CC(C3)C2C(=O)N1c1ccc2ccccc2n1
InChIInChI=1S/C18H14N2O2/c21-17-15-11-5-6-12(9-11)16(15)18(22)20(17)14-8-7-10-3-1-2-4-13(10)19-14/h1-8,11-12,15-16H,9H2
InChIKeyGUYCQLRBHUURQF-UHFFFAOYSA-N
XLogP2.55
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-quinolin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 4-quinolin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 2928182) is 4-quinolin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 4-quinolin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 4-quinolin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is O=C1C2C3C=CC(C3)C2C(=O)N1c1ccc2ccccc2n1.
What is the InChIKey of 4-quinolin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is GUYCQLRBHUURQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-17-15-11-5-6-12(9-11)16(15)18(22)20(17)14-8-7-10-3-1-2-4-13(10)19-14/h1-8,11-12,15-16H,9H2.
What are the key properties of 4-quinolin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
4-quinolin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 290.32 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 2928182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).