1-[2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinolin-4-yl]ethanone

C17H12FNO3 — CID 135499787

IUPAC1-[2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinolin-4-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(O)c(F)c2)nc2ccc(O)cc12
InChIInChI=1S/C17H12FNO3/c1-9(20)12-8-16(10-2-5-17(22)14(18)6-10)19-15-4-3-11(21)7-13(12)15/h2-8,21-22H,1H3
InChIKeyWADBCECIAMXRRD-UHFFFAOYSA-N
MW297.29 g/mol
LogP3.65
Rot. Bonds2

About 1-[2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinolin-4-yl]ethanone

1-[2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinolin-4-yl]ethanone (PubChem CID 135499787) has the molecular formula C17H12FNO3 and a molecular weight of 297.29 g/mol. Its IUPAC name is 1-[2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinolin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinolin-4-yl]ethanone
PubChem CID135499787
Molecular FormulaC17H12FNO3
Molecular Weight297.29 g/mol
Exact Mass297.08
IUPAC Name1-[2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinolin-4-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(O)c(F)c2)nc2ccc(O)cc12
InChIInChI=1S/C17H12FNO3/c1-9(20)12-8-16(10-2-5-17(22)14(18)6-10)19-15-4-3-11(21)7-13(12)15/h2-8,21-22H,1H3
InChIKeyWADBCECIAMXRRD-UHFFFAOYSA-N
XLogP3.65
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Carboxy-4-hydroxyphenyl)quinoline-4-carboxylic acid
CID 68234
2-(4-Ethoxyphenyl)quinoline-4-carboxylic acid
CID 673734
1-(5-Hydroxy-2-methyl-1-phenyl-1H-indol-3-yl)ethanone
CID 781247
3-Hydroxy-2-(3-hydroxy-2-quinolinyl)-1H-inden-1-one
CID 87299
1-[5-Hydroxy-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl]ethanone
CID 537520
2-(4-Hydroxyphenyl)-4-vinylquinolin-6-ol
CID 135409729
4-Ethyl-2-(4-hydroxyphenyl)quinolin-6-ol
CID 135430317
4-Ethynyl-2-(4-hydroxyphenyl)quinolin-6-ol
CID 135524856
2-(4-Hydroxy-phenyl)-quinolin-6-ol
CID 135987619
6-Methoxy-2-phenyl-4-quinolinecarboxylic acid
CID 237402
2-(4-Hydroxyphenyl)quinoline-4-carboxylic acid
CID 247361
2-(3,4-Dimethoxyphenyl)quinoline-4-carboxylic acid
CID 673703

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinolin-4-yl]ethanone?
The IUPAC name of 1-[2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinolin-4-yl]ethanone (CID 135499787) is 1-[2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinolin-4-yl]ethanone.
What is the SMILES notation for 1-[2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinolin-4-yl]ethanone?
The canonical SMILES for 1-[2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinolin-4-yl]ethanone is CC(=O)c1cc(-c2ccc(O)c(F)c2)nc2ccc(O)cc12.
What is the InChIKey of 1-[2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinolin-4-yl]ethanone?
The InChIKey is WADBCECIAMXRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO3/c1-9(20)12-8-16(10-2-5-17(22)14(18)6-10)19-15-4-3-11(21)7-13(12)15/h2-8,21-22H,1H3.
What are the key properties of 1-[2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinolin-4-yl]ethanone?
1-[2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinolin-4-yl]ethanone has a molecular weight of 297.29 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-4-hydroxyphenyl)-6-hydroxyquinolin-4-yl]ethanone is sourced from PubChem (CID 135499787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).