8-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]oxyquinoline

C17H21N3O3S — CID 124760261

IUPAC8-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]oxyquinoline
SMILESO=S(=O)(N1CCCC1)N1CC[C@@H](Oc2cccc3cccnc23)C1
InChIInChI=1S/C17H21N3O3S/c21-24(22,19-10-1-2-11-19)20-12-8-15(13-20)23-16-7-3-5-14-6-4-9-18-17(14)16/h3-7,9,15H,1-2,8,10-13H2/t15-/m1/s1
InChIKeyKQMRWYUQYKLVSG-OAHLLOKOSA-N
MW347.44 g/mol
LogP2.03
Rot. Bonds4

About 8-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]oxyquinoline

8-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]oxyquinoline (PubChem CID 124760261) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 8-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]oxyquinoline.

Molecular Properties

Compound Name8-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]oxyquinoline
PubChem CID124760261
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name8-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]oxyquinoline
SMILESO=S(=O)(N1CCCC1)N1CC[C@@H](Oc2cccc3cccnc23)C1
InChIInChI=1S/C17H21N3O3S/c21-24(22,19-10-1-2-11-19)20-12-8-15(13-20)23-16-7-3-5-14-6-4-9-18-17(14)16/h3-7,9,15H,1-2,8,10-13H2/t15-/m1/s1
InChIKeyKQMRWYUQYKLVSG-OAHLLOKOSA-N
XLogP2.03
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline
CID 124759299
3-[(3S)-1-(azetidin-1-ylsulfonyl)pyrrolidin-3-yl]oxy-N,N-dimethylpyridin-2-amine
CID 136589078
8-[1-[(4-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxyquinoline
CID 121157270
8-[(3S)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoline
CID 124760482
8-[1-[3-(4-chlorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxyquinoline
CID 121157275
2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one
CID 124846967
3-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638570
3-methyl-5-(3-quinolin-8-yloxypyrrolidin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 91815124
(3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide
CID 124863649
4-[3-[(2-pyridin-4-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylmorpholine
CID 118675921
(2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625334
[4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157245

Frequently Asked Questions

What is the IUPAC name of 8-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]oxyquinoline?
The IUPAC name of 8-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]oxyquinoline (CID 124760261) is 8-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]oxyquinoline.
What is the SMILES notation for 8-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]oxyquinoline?
The canonical SMILES for 8-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]oxyquinoline is O=S(=O)(N1CCCC1)N1CC[C@@H](Oc2cccc3cccnc23)C1.
What is the InChIKey of 8-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]oxyquinoline?
The InChIKey is KQMRWYUQYKLVSG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O3S/c21-24(22,19-10-1-2-11-19)20-12-8-15(13-20)23-16-7-3-5-14-6-4-9-18-17(14)16/h3-7,9,15H,1-2,8,10-13H2/t15-/m1/s1.
What are the key properties of 8-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]oxyquinoline?
8-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]oxyquinoline has a molecular weight of 347.44 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]oxyquinoline is sourced from PubChem (CID 124760261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).