2-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]oxyquinoline

C20H20N2O4S — CID 122250690

IUPAC2-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]oxyquinoline
SMILESO=S(=O)(CCOc1ccccc1)N1CC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C20H20N2O4S/c23-27(24,13-12-25-17-7-2-1-3-8-17)22-14-18(15-22)26-20-11-10-16-6-4-5-9-19(16)21-20/h1-11,18H,12-15H2
InChIKeyIPYIBWGDOCNARV-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.71
Rot. Bonds7

About 2-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]oxyquinoline

2-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]oxyquinoline (PubChem CID 122250690) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]oxyquinoline.

Molecular Properties

Compound Name2-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]oxyquinoline
PubChem CID122250690
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name2-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]oxyquinoline
SMILESO=S(=O)(CCOc1ccccc1)N1CC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C20H20N2O4S/c23-27(24,13-12-25-17-7-2-1-3-8-17)22-14-18(15-22)26-20-11-10-16-6-4-5-9-19(16)21-20/h1-11,18H,12-15H2
InChIKeyIPYIBWGDOCNARV-UHFFFAOYSA-N
XLogP2.71
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine
CID 122261143
3-methyl-6-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridazine
CID 91627446
2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine
CID 121162874
3-methyl-6-[(3R)-1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyridazine
CID 100644194
2-methoxy-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine
CID 121161723
2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxyquinoline
CID 122250651
N,N-dimethyl-3-quinolin-2-yloxypyrrolidine-1-sulfonamide
CID 91815890
2-[1-[(E)-2-phenylethenyl]sulfonylpyrrolidin-3-yl]oxyquinoline
CID 91815893
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl]oxyquinoline
CID 122250674
3-phenylsulfanyl-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one
CID 122250433
1-[3-(3-quinolin-2-yloxyazetidin-1-yl)sulfonylphenyl]ethanone
CID 122250642
3-chloro-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one
CID 122250273

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]oxyquinoline?
The IUPAC name of 2-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]oxyquinoline (CID 122250690) is 2-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]oxyquinoline.
What is the SMILES notation for 2-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]oxyquinoline?
The canonical SMILES for 2-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]oxyquinoline is O=S(=O)(CCOc1ccccc1)N1CC(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of 2-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]oxyquinoline?
The InChIKey is IPYIBWGDOCNARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c23-27(24,13-12-25-17-7-2-1-3-8-17)22-14-18(15-22)26-20-11-10-16-6-4-5-9-19(16)21-20/h1-11,18H,12-15H2.
What are the key properties of 2-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]oxyquinoline?
2-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]oxyquinoline has a molecular weight of 384.46 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]oxyquinoline is sourced from PubChem (CID 122250690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).