2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxyquinoline

C21H20N2O3S — CID 91815893

IUPAC2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxyquinoline
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C21H20N2O3S/c24-27(25,15-13-17-6-2-1-3-7-17)23-14-12-19(16-23)26-21-11-10-18-8-4-5-9-20(18)22-21/h1-11,13,15,19H,12,14,16H2/b15-13+
InChIKeyKFQHJGUXFCKPET-FYWRMAATSA-N
MW380.47 g/mol
LogP3.69
Rot. Bonds5

About 2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxyquinoline

2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxyquinoline (PubChem CID 91815893) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxyquinoline.

Molecular Properties

Compound Name2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxyquinoline
PubChem CID91815893
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxyquinoline
SMILESO=S(=O)(/C=C/c1ccccc1)N1CCC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C21H20N2O3S/c24-27(25,15-13-17-6-2-1-3-7-17)23-14-12-19(16-23)26-21-11-10-18-8-4-5-9-20(18)22-21/h1-11,13,15,19H,12,14,16H2/b15-13+
InChIKeyKFQHJGUXFCKPET-FYWRMAATSA-N
XLogP3.69
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[(3R)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxypyridine
CID 129447780
N,N-dimethyl-3-quinolin-2-yloxypyrrolidine-1-sulfonamide
CID 91815890
2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]triazole
CID 121178824
2-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]oxyquinoline
CID 122250690
2-methoxy-6-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidin-3-yl]oxypyrazine
CID 117054818
1-(2-phenylethenylsulfonyl)-4-thiophen-3-yloxypiperidine
CID 171137315
2-[1-[(E)-2-phenylethenyl]sulfonylpiperidin-3-yl]-1,3-benzoxazole
CID 46403394
(2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815832
2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxyquinoline
CID 122250651
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
pyridin-2-yl-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815849
2-(4-fluorophenyl)sulfanyl-1-[(3R)-3-quinolin-2-yloxypyrrolidin-1-yl]ethanone
CID 100739813

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxyquinoline?
The IUPAC name of 2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxyquinoline (CID 91815893) is 2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxyquinoline.
What is the SMILES notation for 2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxyquinoline?
The canonical SMILES for 2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxyquinoline is O=S(=O)(/C=C/c1ccccc1)N1CCC(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of 2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxyquinoline?
The InChIKey is KFQHJGUXFCKPET-FYWRMAATSA-N. The full InChI is InChI=1S/C21H20N2O3S/c24-27(25,15-13-17-6-2-1-3-7-17)23-14-12-19(16-23)26-21-11-10-18-8-4-5-9-20(18)22-21/h1-11,13,15,19H,12,14,16H2/b15-13+.
What are the key properties of 2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxyquinoline?
2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxyquinoline has a molecular weight of 380.47 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxyquinoline is sourced from PubChem (CID 91815893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).