1-[6-hydroxy-2-(4-hydroxyphenyl)quinolin-4-yl]ethanone

C17H13NO3 — CID 135458129

IUPAC1-[6-hydroxy-2-(4-hydroxyphenyl)quinolin-4-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(O)cc2)nc2ccc(O)cc12
InChIInChI=1S/C17H13NO3/c1-10(19)14-9-17(11-2-4-12(20)5-3-11)18-16-7-6-13(21)8-15(14)16/h2-9,20-21H,1H3
InChIKeyAWFTXLDMRIDPOO-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.52
Rot. Bonds2

About 1-[6-hydroxy-2-(4-hydroxyphenyl)quinolin-4-yl]ethanone

1-[6-hydroxy-2-(4-hydroxyphenyl)quinolin-4-yl]ethanone (PubChem CID 135458129) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-[6-hydroxy-2-(4-hydroxyphenyl)quinolin-4-yl]ethanone.

Molecular Properties

Compound Name1-[6-hydroxy-2-(4-hydroxyphenyl)quinolin-4-yl]ethanone
PubChem CID135458129
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name1-[6-hydroxy-2-(4-hydroxyphenyl)quinolin-4-yl]ethanone
SMILESCC(=O)c1cc(-c2ccc(O)cc2)nc2ccc(O)cc12
InChIInChI=1S/C17H13NO3/c1-10(19)14-9-17(11-2-4-12(20)5-3-11)18-16-7-6-13(21)8-15(14)16/h2-9,20-21H,1H3
InChIKeyAWFTXLDMRIDPOO-UHFFFAOYSA-N
XLogP3.52
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Cinchophen
CID 8593
2-(3-Carboxy-4-hydroxyphenyl)quinoline-4-carboxylic acid
CID 68234
3-Methyl-2-phenylquinoline-4-carboxylic acid
CID 673710
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
6-Methoxy-2-methylquinoline-4-carboxylic acid
CID 652347
1-[5-Hydroxy-2-methyl-1-(4-methylphenyl)-1H-indol-3-yl]ethanone
CID 537520
2-(4-Methylphenyl)quinoline-4-carboxylic acid
CID 621867
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

Frequently Asked Questions

What is the IUPAC name of 1-[6-hydroxy-2-(4-hydroxyphenyl)quinolin-4-yl]ethanone?
The IUPAC name of 1-[6-hydroxy-2-(4-hydroxyphenyl)quinolin-4-yl]ethanone (CID 135458129) is 1-[6-hydroxy-2-(4-hydroxyphenyl)quinolin-4-yl]ethanone.
What is the SMILES notation for 1-[6-hydroxy-2-(4-hydroxyphenyl)quinolin-4-yl]ethanone?
The canonical SMILES for 1-[6-hydroxy-2-(4-hydroxyphenyl)quinolin-4-yl]ethanone is CC(=O)c1cc(-c2ccc(O)cc2)nc2ccc(O)cc12.
What is the InChIKey of 1-[6-hydroxy-2-(4-hydroxyphenyl)quinolin-4-yl]ethanone?
The InChIKey is AWFTXLDMRIDPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-10(19)14-9-17(11-2-4-12(20)5-3-11)18-16-7-6-13(21)8-15(14)16/h2-9,20-21H,1H3.
What are the key properties of 1-[6-hydroxy-2-(4-hydroxyphenyl)quinolin-4-yl]ethanone?
1-[6-hydroxy-2-(4-hydroxyphenyl)quinolin-4-yl]ethanone has a molecular weight of 279.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-hydroxy-2-(4-hydroxyphenyl)quinolin-4-yl]ethanone is sourced from PubChem (CID 135458129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).