3-tert-butylquinolizin-4-one

C13H15NO — CID 134908898

IUPAC3-tert-butylquinolizin-4-one
SMILESCC(C)(C)c1ccc2ccccn2c1=O
InChIInChI=1S/C13H15NO/c1-13(2,3)11-8-7-10-6-4-5-9-14(10)12(11)15/h4-9H,1-3H3
InChIKeyGXBQNDRRNOKGTK-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.60
Rot. Bonds

About 3-tert-butylquinolizin-4-one

3-tert-butylquinolizin-4-one (PubChem CID 134908898) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-tert-butylquinolizin-4-one.

Molecular Properties

Compound Name3-tert-butylquinolizin-4-one
PubChem CID134908898
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name3-tert-butylquinolizin-4-one
SMILESCC(C)(C)c1ccc2ccccn2c1=O
InChIInChI=1S/C13H15NO/c1-13(2,3)11-8-7-10-6-4-5-9-14(10)12(11)15/h4-9H,1-3H3
InChIKeyGXBQNDRRNOKGTK-UHFFFAOYSA-N
XLogP2.60
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylquinolizin-4-one?
The IUPAC name of 3-tert-butylquinolizin-4-one (CID 134908898) is 3-tert-butylquinolizin-4-one.
What is the SMILES notation for 3-tert-butylquinolizin-4-one?
The canonical SMILES for 3-tert-butylquinolizin-4-one is CC(C)(C)c1ccc2ccccn2c1=O.
What is the InChIKey of 3-tert-butylquinolizin-4-one?
The InChIKey is GXBQNDRRNOKGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-13(2,3)11-8-7-10-6-4-5-9-14(10)12(11)15/h4-9H,1-3H3.
What are the key properties of 3-tert-butylquinolizin-4-one?
3-tert-butylquinolizin-4-one has a molecular weight of 201.27 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylquinolizin-4-one is sourced from PubChem (CID 134908898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).