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

C15H18FNO2 — CID 69068845

IUPAC(6S,9aR)-6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
SMILESO=C1CCC[C@@H]2CC(O)C[C@@H](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/t12-,13?,14+/m1/s1
InChIKeyHLITXZMYGXNAKC-YIOYIWSBSA-N
MW263.31 g/mol
LogP2.40
Rot. Bonds1

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

(6S,9aR)-6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one (PubChem CID 69068845) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is (6S,9aR)-6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one.

Molecular Properties

Compound Name(6S,9aR)-6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
PubChem CID69068845
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name(6S,9aR)-6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
SMILESO=C1CCC[C@@H]2CC(O)C[C@@H](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/t12-,13?,14+/m1/s1
InChIKeyHLITXZMYGXNAKC-YIOYIWSBSA-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

Analyze (6S,9aR)-6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S,9aR)-6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The IUPAC name of (6S,9aR)-6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one (CID 69068845) is (6S,9aR)-6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one.
What is the SMILES notation for (6S,9aR)-6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The canonical SMILES for (6S,9aR)-6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one is O=C1CCC[C@@H]2CC(O)C[C@@H](c3ccc(F)cc3)N12.
What is the InChIKey of (6S,9aR)-6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
The InChIKey is HLITXZMYGXNAKC-YIOYIWSBSA-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/t12-,13?,14+/m1/s1.
What are the key properties of (6S,9aR)-6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one?
(6S,9aR)-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 (6S,9aR)-6-(4-fluorophenyl)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one is sourced from PubChem (CID 69068845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).