2,9-ditert-butylquinolizin-4-one

C17H23NO — CID 140746739

IUPAC2,9-ditert-butylquinolizin-4-one
SMILESCC(C)(C)c1cc(=O)n2cccc(C(C)(C)C)c2c1
InChIInChI=1S/C17H23NO/c1-16(2,3)12-10-14-13(17(4,5)6)8-7-9-18(14)15(19)11-12/h7-11H,1-6H3
InChIKeyFMONGCHRCAHBPN-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.89
Rot. Bonds

About 2,9-ditert-butylquinolizin-4-one

2,9-ditert-butylquinolizin-4-one (PubChem CID 140746739) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2,9-ditert-butylquinolizin-4-one.

Molecular Properties

Compound Name2,9-ditert-butylquinolizin-4-one
PubChem CID140746739
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2,9-ditert-butylquinolizin-4-one
SMILESCC(C)(C)c1cc(=O)n2cccc(C(C)(C)C)c2c1
InChIInChI=1S/C17H23NO/c1-16(2,3)12-10-14-13(17(4,5)6)8-7-9-18(14)15(19)11-12/h7-11H,1-6H3
InChIKeyFMONGCHRCAHBPN-UHFFFAOYSA-N
XLogP3.89
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,9-ditert-butylquinolizin-4-one?
The IUPAC name of 2,9-ditert-butylquinolizin-4-one (CID 140746739) is 2,9-ditert-butylquinolizin-4-one.
What is the SMILES notation for 2,9-ditert-butylquinolizin-4-one?
The canonical SMILES for 2,9-ditert-butylquinolizin-4-one is CC(C)(C)c1cc(=O)n2cccc(C(C)(C)C)c2c1.
What is the InChIKey of 2,9-ditert-butylquinolizin-4-one?
The InChIKey is FMONGCHRCAHBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-16(2,3)12-10-14-13(17(4,5)6)8-7-9-18(14)15(19)11-12/h7-11H,1-6H3.
What are the key properties of 2,9-ditert-butylquinolizin-4-one?
2,9-ditert-butylquinolizin-4-one has a molecular weight of 257.38 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-ditert-butylquinolizin-4-one is sourced from PubChem (CID 140746739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).