2-quinolin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione

C17H17N3O2 — CID 146198254

IUPAC2-quinolin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione
SMILESO=C1CCC2(CCN(c3ccc4ccccc4n3)C2)C(=O)N1
InChIInChI=1S/C17H17N3O2/c21-15-7-8-17(16(22)19-15)9-10-20(11-17)14-6-5-12-3-1-2-4-13(12)18-14/h1-6H,7-11H2,(H,19,21,22)
InChIKeyFTIZPFZWQAOGSE-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.87
Rot. Bonds1

About 2-quinolin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione

2-quinolin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione (PubChem CID 146198254) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-quinolin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione.

Molecular Properties

Compound Name2-quinolin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione
PubChem CID146198254
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-quinolin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione
SMILESO=C1CCC2(CCN(c3ccc4ccccc4n3)C2)C(=O)N1
InChIInChI=1S/C17H17N3O2/c21-15-7-8-17(16(22)19-15)9-10-20(11-17)14-6-5-12-3-1-2-4-13(12)18-14/h1-6H,7-11H2,(H,19,21,22)
InChIKeyFTIZPFZWQAOGSE-UHFFFAOYSA-N
XLogP1.87
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione?
The IUPAC name of 2-quinolin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione (CID 146198254) is 2-quinolin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione.
What is the SMILES notation for 2-quinolin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione?
The canonical SMILES for 2-quinolin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione is O=C1CCC2(CCN(c3ccc4ccccc4n3)C2)C(=O)N1.
What is the InChIKey of 2-quinolin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione?
The InChIKey is FTIZPFZWQAOGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-15-7-8-17(16(22)19-15)9-10-20(11-17)14-6-5-12-3-1-2-4-13(12)18-14/h1-6H,7-11H2,(H,19,21,22).
What are the key properties of 2-quinolin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione?
2-quinolin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione has a molecular weight of 295.34 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione is sourced from PubChem (CID 146198254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).