3-benzyl-6-fluoro-4-hydroxy-1H-quinolin-2-one

C16H12FNO2 — CID 54703199

IUPAC3-benzyl-6-fluoro-4-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(F)cc2c(O)c1Cc1ccccc1
InChIInChI=1S/C16H12FNO2/c17-11-6-7-14-12(9-11)15(19)13(16(20)18-14)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,18,19,20)
InChIKeyAGXZIUVUZSPXRJ-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.96
Rot. Bonds2

About 3-benzyl-6-fluoro-4-hydroxy-1H-quinolin-2-one

3-benzyl-6-fluoro-4-hydroxy-1H-quinolin-2-one (PubChem CID 54703199) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-benzyl-6-fluoro-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-benzyl-6-fluoro-4-hydroxy-1H-quinolin-2-one
PubChem CID54703199
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name3-benzyl-6-fluoro-4-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(F)cc2c(O)c1Cc1ccccc1
InChIInChI=1S/C16H12FNO2/c17-11-6-7-14-12(9-11)15(19)13(16(20)18-14)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,18,19,20)
InChIKeyAGXZIUVUZSPXRJ-UHFFFAOYSA-N
XLogP2.96
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-fluoro-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 3-benzyl-6-fluoro-4-hydroxy-1H-quinolin-2-one (CID 54703199) is 3-benzyl-6-fluoro-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3-benzyl-6-fluoro-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 3-benzyl-6-fluoro-4-hydroxy-1H-quinolin-2-one is O=c1[nH]c2ccc(F)cc2c(O)c1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-fluoro-4-hydroxy-1H-quinolin-2-one?
The InChIKey is AGXZIUVUZSPXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-11-6-7-14-12(9-11)15(19)13(16(20)18-14)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,18,19,20).
What are the key properties of 3-benzyl-6-fluoro-4-hydroxy-1H-quinolin-2-one?
3-benzyl-6-fluoro-4-hydroxy-1H-quinolin-2-one has a molecular weight of 269.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-fluoro-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54703199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).