2-quinolin-8-yl-2-azaspiro[3.6]decan-3-one

C18H20N2O — CID 102141630

IUPAC2-quinolin-8-yl-2-azaspiro[3.6]decan-3-one
SMILESO=C1N(c2cccc3cccnc23)CC12CCCCCC2
InChIInChI=1S/C18H20N2O/c21-17-18(10-3-1-2-4-11-18)13-20(17)15-9-5-7-14-8-6-12-19-16(14)15/h5-9,12H,1-4,10-11,13H2
InChIKeyZVMMAUCKAUQKEJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.92
Rot. Bonds1

About 2-quinolin-8-yl-2-azaspiro[3.6]decan-3-one

2-quinolin-8-yl-2-azaspiro[3.6]decan-3-one (PubChem CID 102141630) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-quinolin-8-yl-2-azaspiro[3.6]decan-3-one.

Molecular Properties

Compound Name2-quinolin-8-yl-2-azaspiro[3.6]decan-3-one
PubChem CID102141630
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-quinolin-8-yl-2-azaspiro[3.6]decan-3-one
SMILESO=C1N(c2cccc3cccnc23)CC12CCCCCC2
InChIInChI=1S/C18H20N2O/c21-17-18(10-3-1-2-4-11-18)13-20(17)15-9-5-7-14-8-6-12-19-16(14)15/h5-9,12H,1-4,10-11,13H2
InChIKeyZVMMAUCKAUQKEJ-UHFFFAOYSA-N
XLogP3.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-8-yl-2-azaspiro[3.6]decan-3-one?
The IUPAC name of 2-quinolin-8-yl-2-azaspiro[3.6]decan-3-one (CID 102141630) is 2-quinolin-8-yl-2-azaspiro[3.6]decan-3-one.
What is the SMILES notation for 2-quinolin-8-yl-2-azaspiro[3.6]decan-3-one?
The canonical SMILES for 2-quinolin-8-yl-2-azaspiro[3.6]decan-3-one is O=C1N(c2cccc3cccnc23)CC12CCCCCC2.
What is the InChIKey of 2-quinolin-8-yl-2-azaspiro[3.6]decan-3-one?
The InChIKey is ZVMMAUCKAUQKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c21-17-18(10-3-1-2-4-11-18)13-20(17)15-9-5-7-14-8-6-12-19-16(14)15/h5-9,12H,1-4,10-11,13H2.
What are the key properties of 2-quinolin-8-yl-2-azaspiro[3.6]decan-3-one?
2-quinolin-8-yl-2-azaspiro[3.6]decan-3-one has a molecular weight of 280.37 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-8-yl-2-azaspiro[3.6]decan-3-one is sourced from PubChem (CID 102141630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).