8-(4-methylsulfonylphenoxy)quinoline

C16H13NO3S — CID 11220281

IUPAC8-(4-methylsulfonylphenoxy)quinoline
SMILESCS(=O)(=O)c1ccc(Oc2cccc3cccnc23)cc1
InChIInChI=1S/C16H13NO3S/c1-21(18,19)14-9-7-13(8-10-14)20-15-6-2-4-12-5-3-11-17-16(12)15/h2-11H,1H3
InChIKeyKBSXRZJNOLNKMX-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.43
Rot. Bonds3

About 8-(4-methylsulfonylphenoxy)quinoline

8-(4-methylsulfonylphenoxy)quinoline (PubChem CID 11220281) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is 8-(4-methylsulfonylphenoxy)quinoline.

Molecular Properties

Compound Name8-(4-methylsulfonylphenoxy)quinoline
PubChem CID11220281
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name8-(4-methylsulfonylphenoxy)quinoline
SMILESCS(=O)(=O)c1ccc(Oc2cccc3cccnc23)cc1
InChIInChI=1S/C16H13NO3S/c1-21(18,19)14-9-7-13(8-10-14)20-15-6-2-4-12-5-3-11-17-16(12)15/h2-11H,1H3
InChIKeyKBSXRZJNOLNKMX-UHFFFAOYSA-N
XLogP3.43
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-quinolin-8-yloxybenzoic acid
CID 28825287
(2S)-2-methylsulfonyl-N-(4-quinolin-8-yloxyphenyl)propanamide
CID 52519697
4-quinolin-8-yloxy-N-(1,2,5-thiadiazol-3-yl)benzenesulfonamide
CID 167946495
2-(4-methylsulfonylphenoxy)pyridine-3-sulfonamide
CID 115928497
4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide
CID 14127632
2-methoxy-4-quinolin-8-yloxyaniline
CID 63678209
quinolin-8-yl 4-iodobenzenesulfonate
CID 2295266
3-methylsulfonyl-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541916
8-[(2-chloro-4-pyridinyl)oxy]quinoline
CID 63777963
8-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)oxyquinoline
CID 23493774
[2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine
CID 43806809
4-oxo-4-(4-quinolin-8-yloxyanilino)butanoic acid
CID 166181923

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylsulfonylphenoxy)quinoline?
The IUPAC name of 8-(4-methylsulfonylphenoxy)quinoline (CID 11220281) is 8-(4-methylsulfonylphenoxy)quinoline.
What is the SMILES notation for 8-(4-methylsulfonylphenoxy)quinoline?
The canonical SMILES for 8-(4-methylsulfonylphenoxy)quinoline is CS(=O)(=O)c1ccc(Oc2cccc3cccnc23)cc1.
What is the InChIKey of 8-(4-methylsulfonylphenoxy)quinoline?
The InChIKey is KBSXRZJNOLNKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c1-21(18,19)14-9-7-13(8-10-14)20-15-6-2-4-12-5-3-11-17-16(12)15/h2-11H,1H3.
What are the key properties of 8-(4-methylsulfonylphenoxy)quinoline?
8-(4-methylsulfonylphenoxy)quinoline has a molecular weight of 299.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylsulfonylphenoxy)quinoline is sourced from PubChem (CID 11220281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).