1-[3-(3-quinolin-2-yloxyazetidin-1-yl)sulfonylphenyl]ethanone

C20H18N2O4S — CID 122250642

IUPAC1-[3-(3-quinolin-2-yloxyazetidin-1-yl)sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CC(Oc3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C20H18N2O4S/c1-14(23)16-6-4-7-18(11-16)27(24,25)22-12-17(13-22)26-20-10-9-15-5-2-3-8-19(15)21-20/h2-11,17H,12-13H2,1H3
InChIKeyQOMFCSILTMEBKE-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.89
Rot. Bonds5

About 1-[3-(3-quinolin-2-yloxyazetidin-1-yl)sulfonylphenyl]ethanone

1-[3-(3-quinolin-2-yloxyazetidin-1-yl)sulfonylphenyl]ethanone (PubChem CID 122250642) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-[3-(3-quinolin-2-yloxyazetidin-1-yl)sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-(3-quinolin-2-yloxyazetidin-1-yl)sulfonylphenyl]ethanone
PubChem CID122250642
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name1-[3-(3-quinolin-2-yloxyazetidin-1-yl)sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CC(Oc3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C20H18N2O4S/c1-14(23)16-6-4-7-18(11-16)27(24,25)22-12-17(13-22)26-20-10-9-15-5-2-3-8-19(15)21-20/h2-11,17H,12-13H2,1H3
InChIKeyQOMFCSILTMEBKE-UHFFFAOYSA-N
XLogP2.89
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(3-quinolin-2-yloxyazetidin-1-yl)sulfonylphenyl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxyquinoline
CID 122250651
1-[3-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 103535085
2-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl]oxyquinoline
CID 122250674
1-[4-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone
CID 122248570
1-[3-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]sulfonylphenyl]ethanone
CID 71783831
1-[4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 126850668
N,N-dimethyl-3-quinolin-2-yloxypyrrolidine-1-sulfonamide
CID 91815890
1-[3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
CID 121163402
1-[3-(3-aminopyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 62067980
1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 90589462
(4-methylpiperazin-1-yl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250593
2-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]oxyquinoline
CID 122250690

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-quinolin-2-yloxyazetidin-1-yl)sulfonylphenyl]ethanone?
The IUPAC name of 1-[3-(3-quinolin-2-yloxyazetidin-1-yl)sulfonylphenyl]ethanone (CID 122250642) is 1-[3-(3-quinolin-2-yloxyazetidin-1-yl)sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[3-(3-quinolin-2-yloxyazetidin-1-yl)sulfonylphenyl]ethanone?
The canonical SMILES for 1-[3-(3-quinolin-2-yloxyazetidin-1-yl)sulfonylphenyl]ethanone is CC(=O)c1cccc(S(=O)(=O)N2CC(Oc3ccc4ccccc4n3)C2)c1.
What is the InChIKey of 1-[3-(3-quinolin-2-yloxyazetidin-1-yl)sulfonylphenyl]ethanone?
The InChIKey is QOMFCSILTMEBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-14(23)16-6-4-7-18(11-16)27(24,25)22-12-17(13-22)26-20-10-9-15-5-2-3-8-19(15)21-20/h2-11,17H,12-13H2,1H3.
What are the key properties of 1-[3-(3-quinolin-2-yloxyazetidin-1-yl)sulfonylphenyl]ethanone?
1-[3-(3-quinolin-2-yloxyazetidin-1-yl)sulfonylphenyl]ethanone has a molecular weight of 382.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-quinolin-2-yloxyazetidin-1-yl)sulfonylphenyl]ethanone is sourced from PubChem (CID 122250642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).