5-pyrrolidin-1-ylsulfonylquinolin-8-ol

C13H14N2O3S — CID 122440031

IUPAC5-pyrrolidin-1-ylsulfonylquinolin-8-ol
SMILESO=S(=O)(c1ccc(O)c2ncccc12)N1CCCC1
InChIInChI=1S/C13H14N2O3S/c16-11-5-6-12(10-4-3-7-14-13(10)11)19(17,18)15-8-1-2-9-15/h3-7,16H,1-2,8-9H2
InChIKeyYSJMMJFKKLXNQF-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.72
Rot. Bonds2

About 5-pyrrolidin-1-ylsulfonylquinolin-8-ol

5-pyrrolidin-1-ylsulfonylquinolin-8-ol (PubChem CID 122440031) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-pyrrolidin-1-ylsulfonylquinolin-8-ol.

Molecular Properties

Compound Name5-pyrrolidin-1-ylsulfonylquinolin-8-ol
PubChem CID122440031
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name5-pyrrolidin-1-ylsulfonylquinolin-8-ol
SMILESO=S(=O)(c1ccc(O)c2ncccc12)N1CCCC1
InChIInChI=1S/C13H14N2O3S/c16-11-5-6-12(10-4-3-7-14-13(10)11)19(17,18)15-8-1-2-9-15/h3-7,16H,1-2,8-9H2
InChIKeyYSJMMJFKKLXNQF-UHFFFAOYSA-N
XLogP1.72
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-Hydroxyquinoline
CID 1923
Ferron
CID 11043
Actinoquinol
CID 23674
8-Hydroxyquinoline-5-sulfonic acid
CID 6792
8-Hydroxy-5-quinolinesulfonic acid monohydrate
CID 2723649
5-Quinolinesulfonic acid, 8-hydroxy-7-(2-(1-naphthalenyl)diazenyl)-
CID 98565
Quinosol
CID 11507008
4-Methyl-8-hydroxyquinoline
CID 345169
7-Fluoranyl-5-(4-methylphenyl)sulfonyl-quinolin-8-ol
CID 122441965
7-Fluoro-5-cyclopentylsulfonyl-quinolin-8-ol
CID 122439995
7-Fluoro-5-(4-fluorophenyl)sulfonylquinolin-8-ol
CID 122440001
7-Fluoro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol
CID 122442029

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-ylsulfonylquinolin-8-ol?
The IUPAC name of 5-pyrrolidin-1-ylsulfonylquinolin-8-ol (CID 122440031) is 5-pyrrolidin-1-ylsulfonylquinolin-8-ol.
What is the SMILES notation for 5-pyrrolidin-1-ylsulfonylquinolin-8-ol?
The canonical SMILES for 5-pyrrolidin-1-ylsulfonylquinolin-8-ol is O=S(=O)(c1ccc(O)c2ncccc12)N1CCCC1.
What is the InChIKey of 5-pyrrolidin-1-ylsulfonylquinolin-8-ol?
The InChIKey is YSJMMJFKKLXNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c16-11-5-6-12(10-4-3-7-14-13(10)11)19(17,18)15-8-1-2-9-15/h3-7,16H,1-2,8-9H2.
What are the key properties of 5-pyrrolidin-1-ylsulfonylquinolin-8-ol?
5-pyrrolidin-1-ylsulfonylquinolin-8-ol has a molecular weight of 278.33 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-ylsulfonylquinolin-8-ol is sourced from PubChem (CID 122440031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).