5-(2-benzylpyrrolidin-1-yl)sulfonylquinolin-8-ol

C20H20N2O3S — CID 122442051

IUPAC5-(2-benzylpyrrolidin-1-yl)sulfonylquinolin-8-ol
SMILESO=S(=O)(c1ccc(O)c2ncccc12)N1CCCC1Cc1ccccc1
InChIInChI=1S/C20H20N2O3S/c23-18-10-11-19(17-9-4-12-21-20(17)18)26(24,25)22-13-5-8-16(22)14-15-6-2-1-3-7-15/h1-4,6-7,9-12,16,23H,5,8,13-14H2
InChIKeyQAUBWXTZKQAPJV-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.34
Rot. Bonds4

About 5-(2-benzylpyrrolidin-1-yl)sulfonylquinolin-8-ol

5-(2-benzylpyrrolidin-1-yl)sulfonylquinolin-8-ol (PubChem CID 122442051) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 5-(2-benzylpyrrolidin-1-yl)sulfonylquinolin-8-ol.

Molecular Properties

Compound Name5-(2-benzylpyrrolidin-1-yl)sulfonylquinolin-8-ol
PubChem CID122442051
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name5-(2-benzylpyrrolidin-1-yl)sulfonylquinolin-8-ol
SMILESO=S(=O)(c1ccc(O)c2ncccc12)N1CCCC1Cc1ccccc1
InChIInChI=1S/C20H20N2O3S/c23-18-10-11-19(17-9-4-12-21-20(17)18)26(24,25)22-13-5-8-16(22)14-15-6-2-1-3-7-15/h1-4,6-7,9-12,16,23H,5,8,13-14H2
InChIKeyQAUBWXTZKQAPJV-UHFFFAOYSA-N
XLogP3.34
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-benzylpyrrolidin-1-yl)sulfonylquinolin-8-ol?
The IUPAC name of 5-(2-benzylpyrrolidin-1-yl)sulfonylquinolin-8-ol (CID 122442051) is 5-(2-benzylpyrrolidin-1-yl)sulfonylquinolin-8-ol.
What is the SMILES notation for 5-(2-benzylpyrrolidin-1-yl)sulfonylquinolin-8-ol?
The canonical SMILES for 5-(2-benzylpyrrolidin-1-yl)sulfonylquinolin-8-ol is O=S(=O)(c1ccc(O)c2ncccc12)N1CCCC1Cc1ccccc1.
What is the InChIKey of 5-(2-benzylpyrrolidin-1-yl)sulfonylquinolin-8-ol?
The InChIKey is QAUBWXTZKQAPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c23-18-10-11-19(17-9-4-12-21-20(17)18)26(24,25)22-13-5-8-16(22)14-15-6-2-1-3-7-15/h1-4,6-7,9-12,16,23H,5,8,13-14H2.
What are the key properties of 5-(2-benzylpyrrolidin-1-yl)sulfonylquinolin-8-ol?
5-(2-benzylpyrrolidin-1-yl)sulfonylquinolin-8-ol has a molecular weight of 368.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzylpyrrolidin-1-yl)sulfonylquinolin-8-ol is sourced from PubChem (CID 122442051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).