7-fluoro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol

C13H13FN2O3S — CID 122442029

IUPAC7-fluoro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol
SMILESO=S(=O)(c1cc(F)c(O)c2ncccc12)N1CCCC1
InChIInChI=1S/C13H13FN2O3S/c14-10-8-11(20(18,19)16-6-1-2-7-16)9-4-3-5-15-12(9)13(10)17/h3-5,8,17H,1-2,6-7H2
InChIKeyHKRVLLQKYWVTID-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.86
Rot. Bonds2

About 7-fluoro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol

7-fluoro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol (PubChem CID 122442029) has the molecular formula C13H13FN2O3S and a molecular weight of 296.32 g/mol. Its IUPAC name is 7-fluoro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol.

Molecular Properties

Compound Name7-fluoro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol
PubChem CID122442029
Molecular FormulaC13H13FN2O3S
Molecular Weight296.32 g/mol
Exact Mass296.06
IUPAC Name7-fluoro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol
SMILESO=S(=O)(c1cc(F)c(O)c2ncccc12)N1CCCC1
InChIInChI=1S/C13H13FN2O3S/c14-10-8-11(20(18,19)16-6-1-2-7-16)9-4-3-5-15-12(9)13(10)17/h3-5,8,17H,1-2,6-7H2
InChIKeyHKRVLLQKYWVTID-UHFFFAOYSA-N
XLogP1.86
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol?
The IUPAC name of 7-fluoro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol (CID 122442029) is 7-fluoro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol.
What is the SMILES notation for 7-fluoro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol?
The canonical SMILES for 7-fluoro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol is O=S(=O)(c1cc(F)c(O)c2ncccc12)N1CCCC1.
What is the InChIKey of 7-fluoro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol?
The InChIKey is HKRVLLQKYWVTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3S/c14-10-8-11(20(18,19)16-6-1-2-7-16)9-4-3-5-15-12(9)13(10)17/h3-5,8,17H,1-2,6-7H2.
What are the key properties of 7-fluoro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol?
7-fluoro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol has a molecular weight of 296.32 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol is sourced from PubChem (CID 122442029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).