4-methoxy-2-[4-(4-methoxyphenyl)sulfonylphenoxy]quinoline

C23H19NO5S — CID 58133199

IUPAC4-methoxy-2-[4-(4-methoxyphenyl)sulfonylphenoxy]quinoline
SMILESCOc1ccc(S(=O)(=O)c2ccc(Oc3cc(OC)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C23H19NO5S/c1-27-16-7-11-18(12-8-16)30(25,26)19-13-9-17(10-14-19)29-23-15-22(28-2)20-5-3-4-6-21(20)24-23/h3-15H,1-2H3
InChIKeyYOIFERWVYBQLGN-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.88
Rot. Bonds6

About 4-methoxy-2-[4-(4-methoxyphenyl)sulfonylphenoxy]quinoline

4-methoxy-2-[4-(4-methoxyphenyl)sulfonylphenoxy]quinoline (PubChem CID 58133199) has the molecular formula C23H19NO5S and a molecular weight of 421.47 g/mol. Its IUPAC name is 4-methoxy-2-[4-(4-methoxyphenyl)sulfonylphenoxy]quinoline.

Molecular Properties

Compound Name4-methoxy-2-[4-(4-methoxyphenyl)sulfonylphenoxy]quinoline
PubChem CID58133199
Molecular FormulaC23H19NO5S
Molecular Weight421.47 g/mol
Exact Mass421.10
IUPAC Name4-methoxy-2-[4-(4-methoxyphenyl)sulfonylphenoxy]quinoline
SMILESCOc1ccc(S(=O)(=O)c2ccc(Oc3cc(OC)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C23H19NO5S/c1-27-16-7-11-18(12-8-16)30(25,26)19-13-9-17(10-14-19)29-23-15-22(28-2)20-5-3-4-6-21(20)24-23/h3-15H,1-2H3
InChIKeyYOIFERWVYBQLGN-UHFFFAOYSA-N
XLogP4.88
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)sulfonyl-4-methylquinoline
CID 71371296
(4-methoxyquinolin-2-yl) hydrogen carbonate
CID 70267248
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
1-methoxy-4-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;2-methoxy-6-[4-(4-methylphenyl)sulfonylphenoxy]naphthalene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158339825
1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 175665287
2-(4-methoxyphenyl)-3-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-phenylphenyl]-2-phenylphenoxy]phenyl]sulfonylphenoxy]phenyl]quinoxaline
CID 88530720
5-(benzenesulfonyl)-2-[4-(benzenesulfonyl)phenoxy]-1,3-dimethylbenzene
CID 139724883
(2-methylquinolin-4-yl) 2,5-dimethoxybenzenesulfonate
CID 3982638
2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 90324050
N-(2,4-dimethoxyphenyl)-4-phenoxybenzenesulfonamide
CID 46764272
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
2-phenoxyquinolin-4-amine
CID 158312324

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-(4-methoxyphenyl)sulfonylphenoxy]quinoline?
The IUPAC name of 4-methoxy-2-[4-(4-methoxyphenyl)sulfonylphenoxy]quinoline (CID 58133199) is 4-methoxy-2-[4-(4-methoxyphenyl)sulfonylphenoxy]quinoline.
What is the SMILES notation for 4-methoxy-2-[4-(4-methoxyphenyl)sulfonylphenoxy]quinoline?
The canonical SMILES for 4-methoxy-2-[4-(4-methoxyphenyl)sulfonylphenoxy]quinoline is COc1ccc(S(=O)(=O)c2ccc(Oc3cc(OC)c4ccccc4n3)cc2)cc1.
What is the InChIKey of 4-methoxy-2-[4-(4-methoxyphenyl)sulfonylphenoxy]quinoline?
The InChIKey is YOIFERWVYBQLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5S/c1-27-16-7-11-18(12-8-16)30(25,26)19-13-9-17(10-14-19)29-23-15-22(28-2)20-5-3-4-6-21(20)24-23/h3-15H,1-2H3.
What are the key properties of 4-methoxy-2-[4-(4-methoxyphenyl)sulfonylphenoxy]quinoline?
4-methoxy-2-[4-(4-methoxyphenyl)sulfonylphenoxy]quinoline has a molecular weight of 421.47 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-(4-methoxyphenyl)sulfonylphenoxy]quinoline is sourced from PubChem (CID 58133199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).