4-[4-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]sulfonylmorpholine

C22H24N2O5S — CID 25337050

IUPAC4-[4-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]sulfonylmorpholine
SMILESCc1ccc2cccc(OCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2n1
InChIInChI=1S/C22H24N2O5S/c1-17-5-6-18-3-2-4-21(22(18)23-17)29-16-15-28-19-7-9-20(10-8-19)30(25,26)24-11-13-27-14-12-24/h2-10H,11-16H2,1H3
InChIKeyFSDDRQKQSQRGSE-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.02
Rot. Bonds7

About 4-[4-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]sulfonylmorpholine

4-[4-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]sulfonylmorpholine (PubChem CID 25337050) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is 4-[4-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]sulfonylmorpholine
PubChem CID25337050
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC Name4-[4-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]sulfonylmorpholine
SMILESCc1ccc2cccc(OCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2n1
InChIInChI=1S/C22H24N2O5S/c1-17-5-6-18-3-2-4-21(22(18)23-17)29-16-15-28-19-7-9-20(10-8-19)30(25,26)24-11-13-27-14-12-24/h2-10H,11-16H2,1H3
InChIKeyFSDDRQKQSQRGSE-UHFFFAOYSA-N
XLogP3.02
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
4-[4-(naphthalen-1-ylmethoxy)phenyl]sulfonylmorpholine
CID 7612861
4-[4-[(3-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9332672
3-(4-morpholin-4-ylsulfonylphenoxy)propanoic acid
CID 43314386
4-[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]sulfonylmorpholine
CID 39413047
4-[4-[(4-methylphenyl)methoxy]phenyl]sulfonylmorpholine
CID 9331341
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-naphthalen-2-yloxypropanamide
CID 133234805
8-[2-[2-(4-chloro-3-ethylphenoxy)ethoxy]ethoxy]-2-methylquinoline
CID 2183491
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl 3-methylfuran-2-carboxylate
CID 27198916
2-(4-morpholin-4-ylsulfonylphenoxy)ethyl cyclobutanecarboxylate
CID 55449133
N-ethyl-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]butan-1-amine
CID 55569720
4-[4-(3-benzylsulfanylpropoxy)phenyl]sulfonylmorpholine
CID 75393020

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]sulfonylmorpholine (CID 25337050) is 4-[4-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]sulfonylmorpholine is Cc1ccc2cccc(OCCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)c2n1.
What is the InChIKey of 4-[4-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]sulfonylmorpholine?
The InChIKey is FSDDRQKQSQRGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-17-5-6-18-3-2-4-21(22(18)23-17)29-16-15-28-19-7-9-20(10-8-19)30(25,26)24-11-13-27-14-12-24/h2-10H,11-16H2,1H3.
What are the key properties of 4-[4-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]sulfonylmorpholine?
4-[4-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]sulfonylmorpholine has a molecular weight of 428.51 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]sulfonylmorpholine is sourced from PubChem (CID 25337050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).