6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one

C15H18FNO2 — CID 69068843

IUPAC6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
SMILESO=C1CCCC2CC(O)CC(c3ccc(F)cc3)N12
InChIInChI=1S/C15H18FNO2/c16-11-6-4-10(5-7-11)14-9-13(18)8-12-2-1-3-15(19)17(12)14/h4-7,12-14,18H,1-3,8-9H2
InChIKeyHLITXZMYGXNAKC-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.40
Rot. Bonds1

About 6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one

6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one (PubChem CID 69068843) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
PubChem CID69068843
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
SMILESO=C1CCCC2CC(O)CC(c3ccc(F)cc3)N12
InChIInChI=1S/C15H18FNO2/c16-11-6-4-10(5-7-11)14-9-13(18)8-12-2-1-3-15(19)17(12)14/h4-7,12-14,18H,1-3,8-9H2
InChIKeyHLITXZMYGXNAKC-UHFFFAOYSA-N
XLogP2.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The IUPAC name of 6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one (CID 69068843) is 6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one.
What is the SMILES notation for 6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The canonical SMILES for 6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one is O=C1CCCC2CC(O)CC(c3ccc(F)cc3)N12.
What is the InChIKey of 6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The InChIKey is HLITXZMYGXNAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-11-6-4-10(5-7-11)14-9-13(18)8-12-2-1-3-15(19)17(12)14/h4-7,12-14,18H,1-3,8-9H2.
What are the key properties of 6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one has a molecular weight of 263.31 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one is sourced from PubChem (CID 69068843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).