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

C13H13ClN2O3S — CID 122440022

IUPAC7-chloro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol
SMILESO=S(=O)(c1cc(Cl)c(O)c2ncccc12)N1CCCC1
InChIInChI=1S/C13H13ClN2O3S/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
InChIKeyQHPXFBDKTTWXGR-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.38
Rot. Bonds2

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

7-chloro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol (PubChem CID 122440022) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is 7-chloro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol.

Molecular Properties

Compound Name7-chloro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol
PubChem CID122440022
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name7-chloro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol
SMILESO=S(=O)(c1cc(Cl)c(O)c2ncccc12)N1CCCC1
InChIInChI=1S/C13H13ClN2O3S/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
InChIKeyQHPXFBDKTTWXGR-UHFFFAOYSA-N
XLogP2.38
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol?
The IUPAC name of 7-chloro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol (CID 122440022) is 7-chloro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol.
What is the SMILES notation for 7-chloro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol?
The canonical SMILES for 7-chloro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol is O=S(=O)(c1cc(Cl)c(O)c2ncccc12)N1CCCC1.
What is the InChIKey of 7-chloro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol?
The InChIKey is QHPXFBDKTTWXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/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-chloro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol?
7-chloro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol has a molecular weight of 312.78 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-pyrrolidin-1-ylsulfonylquinolin-8-ol is sourced from PubChem (CID 122440022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).