1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfonylpropan-1-one

C13H17NO4S — CID 115970115

IUPAC1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfonylpropan-1-one
SMILESCC(C(=O)N1CCCc2cccc(O)c21)S(C)(=O)=O
InChIInChI=1S/C13H17NO4S/c1-9(19(2,17)18)13(16)14-8-4-6-10-5-3-7-11(15)12(10)14/h3,5,7,9,15H,4,6,8H2,1-2H3
InChIKeyARDKRZFDMZKYJU-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.10
Rot. Bonds2

About 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfonylpropan-1-one

1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfonylpropan-1-one (PubChem CID 115970115) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfonylpropan-1-one
PubChem CID115970115
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfonylpropan-1-one
SMILESCC(C(=O)N1CCCc2cccc(O)c21)S(C)(=O)=O
InChIInChI=1S/C13H17NO4S/c1-9(19(2,17)18)13(16)14-8-4-6-10-5-3-7-11(15)12(10)14/h3,5,7,9,15H,4,6,8H2,1-2H3
InChIKeyARDKRZFDMZKYJU-UHFFFAOYSA-N
XLogP1.10
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-8-hydroxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 79161867
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone
CID 112602907
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
CID 106741641
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 15267724
(2R)-1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one
CID 97063042
1-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(oxan-4-ylsulfonyl)propan-1-one
CID 71914326
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 79159866
3-(furan-2-yl)-1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one
CID 76987242
1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-8-ol
CID 55234624
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone
CID 79807986
2,3-dihydro-1,4-dioxin-5-yl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63215456
5-(8-hydroxy-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-2-one
CID 63215159

Frequently Asked Questions

What is the IUPAC name of 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfonylpropan-1-one?
The IUPAC name of 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfonylpropan-1-one (CID 115970115) is 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfonylpropan-1-one.
What is the SMILES notation for 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfonylpropan-1-one?
The canonical SMILES for 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfonylpropan-1-one is CC(C(=O)N1CCCc2cccc(O)c21)S(C)(=O)=O.
What is the InChIKey of 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfonylpropan-1-one?
The InChIKey is ARDKRZFDMZKYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-9(19(2,17)18)13(16)14-8-4-6-10-5-3-7-11(15)12(10)14/h3,5,7,9,15H,4,6,8H2,1-2H3.
What are the key properties of 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfonylpropan-1-one?
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfonylpropan-1-one has a molecular weight of 283.35 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfonylpropan-1-one is sourced from PubChem (CID 115970115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).