6-fluoro-4-hydroxy-3-propan-2-yl-1H-quinolin-2-one

C12H12FNO2 — CID 54678717

IUPAC6-fluoro-4-hydroxy-3-propan-2-yl-1H-quinolin-2-one
SMILESCC(C)c1c(O)c2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C12H12FNO2/c1-6(2)10-11(15)8-5-7(13)3-4-9(8)14-12(10)16/h3-6H,1-2H3,(H2,14,15,16)
InChIKeySBIGDAHNYHAXAG-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.50
Rot. Bonds1

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

6-fluoro-4-hydroxy-3-propan-2-yl-1H-quinolin-2-one (PubChem CID 54678717) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 6-fluoro-4-hydroxy-3-propan-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-4-hydroxy-3-propan-2-yl-1H-quinolin-2-one
PubChem CID54678717
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name6-fluoro-4-hydroxy-3-propan-2-yl-1H-quinolin-2-one
SMILESCC(C)c1c(O)c2cc(F)ccc2[nH]c1=O
InChIInChI=1S/C12H12FNO2/c1-6(2)10-11(15)8-5-7(13)3-4-9(8)14-12(10)16/h3-6H,1-2H3,(H2,14,15,16)
InChIKeySBIGDAHNYHAXAG-UHFFFAOYSA-N
XLogP2.50
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-3-propan-2-yl-1H-quinolin-2-one
CID 54684096
3-benzyl-6-fluoro-4-hydroxy-1H-quinolin-2-one
CID 54703199
1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82079500
6-fluoro-9H-carbazol-2-ol
CID 162369909
5-fluoro-3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 135730462
2-(2-bromo-4-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 107281016
3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropanoic acid
CID 83859681
1-(5-fluoro-2-propan-2-yl-1H-indol-3-yl)-N-methylmethanamine
CID 84740322
7-fluoro-9-oxo-10H-acridine-2-carboxylic acid
CID 75478956
8-fluoro-5H-thieno[2,3-c]quinolin-4-one
CID 53472353
3-methyl-4-propan-2-yl-1H-quinolin-2-one
CID 70906749
8-fluoro-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one
CID 175939537

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-hydroxy-3-propan-2-yl-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-4-hydroxy-3-propan-2-yl-1H-quinolin-2-one (CID 54678717) is 6-fluoro-4-hydroxy-3-propan-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-4-hydroxy-3-propan-2-yl-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-4-hydroxy-3-propan-2-yl-1H-quinolin-2-one is CC(C)c1c(O)c2cc(F)ccc2[nH]c1=O.
What is the InChIKey of 6-fluoro-4-hydroxy-3-propan-2-yl-1H-quinolin-2-one?
The InChIKey is SBIGDAHNYHAXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-6(2)10-11(15)8-5-7(13)3-4-9(8)14-12(10)16/h3-6H,1-2H3,(H2,14,15,16).
What are the key properties of 6-fluoro-4-hydroxy-3-propan-2-yl-1H-quinolin-2-one?
6-fluoro-4-hydroxy-3-propan-2-yl-1H-quinolin-2-one has a molecular weight of 221.23 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-hydroxy-3-propan-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 54678717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).