8-[1-[(4-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxyquinoline

C20H19ClN2O3S — CID 121157270

IUPAC8-[1-[(4-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxyquinoline
SMILESO=S(=O)(Cc1ccc(Cl)cc1)N1CCC(Oc2cccc3cccnc23)C1
InChIInChI=1S/C20H19ClN2O3S/c21-17-8-6-15(7-9-17)14-27(24,25)23-12-10-18(13-23)26-19-5-1-3-16-4-2-11-22-20(16)19/h1-9,11,18H,10,12-14H2
InChIKeyZJOIMXNDDUEONT-UHFFFAOYSA-N
MW402.90 g/mol
LogP3.87
Rot. Bonds5

About 8-[1-[(4-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxyquinoline

8-[1-[(4-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxyquinoline (PubChem CID 121157270) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is 8-[1-[(4-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxyquinoline.

Molecular Properties

Compound Name8-[1-[(4-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxyquinoline
PubChem CID121157270
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC Name8-[1-[(4-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxyquinoline
SMILESO=S(=O)(Cc1ccc(Cl)cc1)N1CCC(Oc2cccc3cccnc23)C1
InChIInChI=1S/C20H19ClN2O3S/c21-17-8-6-15(7-9-17)14-27(24,25)23-12-10-18(13-23)26-19-5-1-3-16-4-2-11-22-20(16)19/h1-9,11,18H,10,12-14H2
InChIKeyZJOIMXNDDUEONT-UHFFFAOYSA-N
XLogP3.87
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[1-[(4-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxyquinoline 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 8-[1-[(4-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxyquinoline?
The IUPAC name of 8-[1-[(4-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxyquinoline (CID 121157270) is 8-[1-[(4-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxyquinoline.
What is the SMILES notation for 8-[1-[(4-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxyquinoline?
The canonical SMILES for 8-[1-[(4-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxyquinoline is O=S(=O)(Cc1ccc(Cl)cc1)N1CCC(Oc2cccc3cccnc23)C1.
What is the InChIKey of 8-[1-[(4-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxyquinoline?
The InChIKey is ZJOIMXNDDUEONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c21-17-8-6-15(7-9-17)14-27(24,25)23-12-10-18(13-23)26-19-5-1-3-16-4-2-11-22-20(16)19/h1-9,11,18H,10,12-14H2.
What are the key properties of 8-[1-[(4-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxyquinoline?
8-[1-[(4-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxyquinoline has a molecular weight of 402.90 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[(4-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxyquinoline is sourced from PubChem (CID 121157270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).