3-butyl-7-fluoro-4-hydroxy-1H-quinolin-2-one

C13H14FNO2 — CID 54705971

IUPAC3-butyl-7-fluoro-4-hydroxy-1H-quinolin-2-one
SMILESCCCCc1c(O)c2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C13H14FNO2/c1-2-3-4-10-12(16)9-6-5-8(14)7-11(9)15-13(10)17/h5-7H,2-4H2,1H3,(H2,15,16,17)
InChIKeyISFYESDZUPXFAL-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.72
Rot. Bonds3

About 3-butyl-7-fluoro-4-hydroxy-1H-quinolin-2-one

3-butyl-7-fluoro-4-hydroxy-1H-quinolin-2-one (PubChem CID 54705971) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-butyl-7-fluoro-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-butyl-7-fluoro-4-hydroxy-1H-quinolin-2-one
PubChem CID54705971
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name3-butyl-7-fluoro-4-hydroxy-1H-quinolin-2-one
SMILESCCCCc1c(O)c2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C13H14FNO2/c1-2-3-4-10-12(16)9-6-5-8(14)7-11(9)15-13(10)17/h5-7H,2-4H2,1H3,(H2,15,16,17)
InChIKeyISFYESDZUPXFAL-UHFFFAOYSA-N
XLogP2.72
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-butyl-6,8-dichloro-4-hydroxy-1H-quinolin-2-one
CID 54695683
N-butyl-6-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110848225
3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one
CID 139716948
3-benzyl-6-fluoro-4-hydroxy-1H-quinolin-2-one
CID 54703199
4-butoxy-7-hydroxy-3-octoxy-1H-quinolin-2-one
CID 139718292
7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbaldehyde
CID 84620523
4-(6-fluoro-2-methyl-1H-indol-3-yl)butan-2-one
CID 82493826
7-fluoro-4-methyl-2-oxo-1H-quinoline-3-carbonitrile
CID 84619808
5-butyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135414794
ethyl N-[(6-fluoro-2-hydroxy-1H-indol-3-yl)imino]carbamate
CID 135836804
ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate
CID 162422252
7-fluoro-4-propyl-1H-quinoxaline-2,3-dione
CID 10680528

Frequently Asked Questions

What is the IUPAC name of 3-butyl-7-fluoro-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 3-butyl-7-fluoro-4-hydroxy-1H-quinolin-2-one (CID 54705971) is 3-butyl-7-fluoro-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3-butyl-7-fluoro-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 3-butyl-7-fluoro-4-hydroxy-1H-quinolin-2-one is CCCCc1c(O)c2ccc(F)cc2[nH]c1=O.
What is the InChIKey of 3-butyl-7-fluoro-4-hydroxy-1H-quinolin-2-one?
The InChIKey is ISFYESDZUPXFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-2-3-4-10-12(16)9-6-5-8(14)7-11(9)15-13(10)17/h5-7H,2-4H2,1H3,(H2,15,16,17).
What are the key properties of 3-butyl-7-fluoro-4-hydroxy-1H-quinolin-2-one?
3-butyl-7-fluoro-4-hydroxy-1H-quinolin-2-one has a molecular weight of 235.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-7-fluoro-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54705971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).