7-(1-naphthalen-2-ylsulfonylazetidin-3-yl)oxyquinoline

C22H18N2O3S — CID 167965181

IUPAC7-(1-naphthalen-2-ylsulfonylazetidin-3-yl)oxyquinoline
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CC(Oc2ccc3cccnc3c2)C1
InChIInChI=1S/C22H18N2O3S/c25-28(26,21-10-8-16-4-1-2-5-18(16)12-21)24-14-20(15-24)27-19-9-7-17-6-3-11-23-22(17)13-19/h1-13,20H,14-15H2
InChIKeyVSYFGKDJZFZFDN-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.84
Rot. Bonds4

About 7-(1-naphthalen-2-ylsulfonylazetidin-3-yl)oxyquinoline

7-(1-naphthalen-2-ylsulfonylazetidin-3-yl)oxyquinoline (PubChem CID 167965181) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is 7-(1-naphthalen-2-ylsulfonylazetidin-3-yl)oxyquinoline.

Molecular Properties

Compound Name7-(1-naphthalen-2-ylsulfonylazetidin-3-yl)oxyquinoline
PubChem CID167965181
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC Name7-(1-naphthalen-2-ylsulfonylazetidin-3-yl)oxyquinoline
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CC(Oc2ccc3cccnc3c2)C1
InChIInChI=1S/C22H18N2O3S/c25-28(26,21-10-8-16-4-1-2-5-18(16)12-21)24-14-20(15-24)27-19-9-7-17-6-3-11-23-22(17)13-19/h1-13,20H,14-15H2
InChIKeyVSYFGKDJZFZFDN-UHFFFAOYSA-N
XLogP3.84
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]sulfonyl]quinoline
CID 167907378
2-methyl-5-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)oxypyridine
CID 90566562
3-naphthalen-2-ylsulfonyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 141154020
4-(1-naphthalen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260073
(2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine
CID 704067
8-naphthalen-2-ylsulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
CID 121186274
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122247334
2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]oxyquinoline
CID 122250651
1-[3-(3-quinolin-2-yloxyazetidin-1-yl)sulfonylphenyl]ethanone
CID 122250642
2-[3-[2-oxo-2-(3-quinolin-7-yloxyazetidin-1-yl)ethyl]phenoxy]acetonitrile
CID 166389409
(1-naphthalen-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62063398

Frequently Asked Questions

What is the IUPAC name of 7-(1-naphthalen-2-ylsulfonylazetidin-3-yl)oxyquinoline?
The IUPAC name of 7-(1-naphthalen-2-ylsulfonylazetidin-3-yl)oxyquinoline (CID 167965181) is 7-(1-naphthalen-2-ylsulfonylazetidin-3-yl)oxyquinoline.
What is the SMILES notation for 7-(1-naphthalen-2-ylsulfonylazetidin-3-yl)oxyquinoline?
The canonical SMILES for 7-(1-naphthalen-2-ylsulfonylazetidin-3-yl)oxyquinoline is O=S(=O)(c1ccc2ccccc2c1)N1CC(Oc2ccc3cccnc3c2)C1.
What is the InChIKey of 7-(1-naphthalen-2-ylsulfonylazetidin-3-yl)oxyquinoline?
The InChIKey is VSYFGKDJZFZFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c25-28(26,21-10-8-16-4-1-2-5-18(16)12-21)24-14-20(15-24)27-19-9-7-17-6-3-11-23-22(17)13-19/h1-13,20H,14-15H2.
What are the key properties of 7-(1-naphthalen-2-ylsulfonylazetidin-3-yl)oxyquinoline?
7-(1-naphthalen-2-ylsulfonylazetidin-3-yl)oxyquinoline has a molecular weight of 390.46 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-naphthalen-2-ylsulfonylazetidin-3-yl)oxyquinoline is sourced from PubChem (CID 167965181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).