2-(1,1-dioxothiolan-3-yl)-1-quinolin-7-ylethanol

C15H17NO3S — CID 105118989

IUPAC2-(1,1-dioxothiolan-3-yl)-1-quinolin-7-ylethanol
SMILESO=S1(=O)CCC(CC(O)c2ccc3cccnc3c2)C1
InChIInChI=1S/C15H17NO3S/c17-15(8-11-5-7-20(18,19)10-11)13-4-3-12-2-1-6-16-14(12)9-13/h1-4,6,9,11,15,17H,5,7-8,10H2
InChIKeyFMXAJNYJJQWEIM-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.09
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)-1-quinolin-7-ylethanol

2-(1,1-dioxothiolan-3-yl)-1-quinolin-7-ylethanol (PubChem CID 105118989) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-1-quinolin-7-ylethanol.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-1-quinolin-7-ylethanol
PubChem CID105118989
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name2-(1,1-dioxothiolan-3-yl)-1-quinolin-7-ylethanol
SMILESO=S1(=O)CCC(CC(O)c2ccc3cccnc3c2)C1
InChIInChI=1S/C15H17NO3S/c17-15(8-11-5-7-20(18,19)10-11)13-4-3-12-2-1-6-16-14(12)9-13/h1-4,6,9,11,15,17H,5,7-8,10H2
InChIKeyFMXAJNYJJQWEIM-UHFFFAOYSA-N
XLogP2.09
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-1-quinolin-6-ylethanamine
CID 105172342
2-cycloheptyl-1-quinolin-6-ylethanol
CID 115826801
cycloheptyl(quinolin-7-yl)methanol
CID 81216722
2-(1,1-dioxothiolan-3-yl)-1-(3-propylphenyl)ethanol
CID 105131014
3-amino-1-quinolin-7-ylpropan-1-ol
CID 84670752
2-(1,1-dioxothiolan-3-yl)-1-naphthalen-1-ylethanol
CID 105092607
(2-cyclopentyl-1-quinolin-7-ylethyl)hydrazine
CID 105327558
[2-(1,1-dioxothiolan-3-yl)-1-quinolin-3-ylethyl]hydrazine
CID 105286909
1-quinolin-7-ylpropane-1,2,3-triol
CID 170818071
2-(2-methylpropylamino)-1-quinolin-7-ylethanol
CID 81221212
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-quinolin-7-ylmethanol
CID 115997893
1-(2,6-dimethoxyphenyl)-2-(1,1-dioxothiolan-3-yl)ethanol
CID 105131622

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1-quinolin-7-ylethanol?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1-quinolin-7-ylethanol (CID 105118989) is 2-(1,1-dioxothiolan-3-yl)-1-quinolin-7-ylethanol.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-1-quinolin-7-ylethanol?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-1-quinolin-7-ylethanol is O=S1(=O)CCC(CC(O)c2ccc3cccnc3c2)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-1-quinolin-7-ylethanol?
The InChIKey is FMXAJNYJJQWEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c17-15(8-11-5-7-20(18,19)10-11)13-4-3-12-2-1-6-16-14(12)9-13/h1-4,6,9,11,15,17H,5,7-8,10H2.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-1-quinolin-7-ylethanol?
2-(1,1-dioxothiolan-3-yl)-1-quinolin-7-ylethanol has a molecular weight of 291.37 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-1-quinolin-7-ylethanol is sourced from PubChem (CID 105118989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).