3-(6-fluoroquinolin-2-yl)-2-hydroxy-1-phenylpropan-1-one

C18H14FNO2 — CID 132915457

IUPAC3-(6-fluoroquinolin-2-yl)-2-hydroxy-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(O)Cc1ccc2cc(F)ccc2n1
InChIInChI=1S/C18H14FNO2/c19-14-7-9-16-13(10-14)6-8-15(20-16)11-17(21)18(22)12-4-2-1-3-5-12/h1-10,17,21H,11H2
InChIKeyKLZWUZGIKAQSOO-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.16
Rot. Bonds4

About 3-(6-fluoroquinolin-2-yl)-2-hydroxy-1-phenylpropan-1-one

3-(6-fluoroquinolin-2-yl)-2-hydroxy-1-phenylpropan-1-one (PubChem CID 132915457) has the molecular formula C18H14FNO2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 3-(6-fluoroquinolin-2-yl)-2-hydroxy-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(6-fluoroquinolin-2-yl)-2-hydroxy-1-phenylpropan-1-one
PubChem CID132915457
Molecular FormulaC18H14FNO2
Molecular Weight295.31 g/mol
Exact Mass295.10
IUPAC Name3-(6-fluoroquinolin-2-yl)-2-hydroxy-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(O)Cc1ccc2cc(F)ccc2n1
InChIInChI=1S/C18H14FNO2/c19-14-7-9-16-13(10-14)6-8-15(20-16)11-17(21)18(22)12-4-2-1-3-5-12/h1-10,17,21H,11H2
InChIKeyKLZWUZGIKAQSOO-UHFFFAOYSA-N
XLogP3.16
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoroquinolin-2-yl)-2-hydroxy-1-phenylpropan-1-one?
The IUPAC name of 3-(6-fluoroquinolin-2-yl)-2-hydroxy-1-phenylpropan-1-one (CID 132915457) is 3-(6-fluoroquinolin-2-yl)-2-hydroxy-1-phenylpropan-1-one.
What is the SMILES notation for 3-(6-fluoroquinolin-2-yl)-2-hydroxy-1-phenylpropan-1-one?
The canonical SMILES for 3-(6-fluoroquinolin-2-yl)-2-hydroxy-1-phenylpropan-1-one is O=C(c1ccccc1)C(O)Cc1ccc2cc(F)ccc2n1.
What is the InChIKey of 3-(6-fluoroquinolin-2-yl)-2-hydroxy-1-phenylpropan-1-one?
The InChIKey is KLZWUZGIKAQSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2/c19-14-7-9-16-13(10-14)6-8-15(20-16)11-17(21)18(22)12-4-2-1-3-5-12/h1-10,17,21H,11H2.
What are the key properties of 3-(6-fluoroquinolin-2-yl)-2-hydroxy-1-phenylpropan-1-one?
3-(6-fluoroquinolin-2-yl)-2-hydroxy-1-phenylpropan-1-one has a molecular weight of 295.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoroquinolin-2-yl)-2-hydroxy-1-phenylpropan-1-one is sourced from PubChem (CID 132915457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).