5-(4-ethoxyphenoxy)-6-methoxy-2-methylsulfonylquinoline

C19H19NO5S — CID 22139680

IUPAC5-(4-ethoxyphenoxy)-6-methoxy-2-methylsulfonylquinoline
SMILESCCOc1ccc(Oc2c(OC)ccc3nc(S(C)(=O)=O)ccc23)cc1
InChIInChI=1S/C19H19NO5S/c1-4-24-13-5-7-14(8-6-13)25-19-15-9-12-18(26(3,21)22)20-16(15)10-11-17(19)23-2/h5-12H,4H2,1-3H3
InChIKeyZSTACXOQVJGGFN-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.84
Rot. Bonds6

About 5-(4-ethoxyphenoxy)-6-methoxy-2-methylsulfonylquinoline

5-(4-ethoxyphenoxy)-6-methoxy-2-methylsulfonylquinoline (PubChem CID 22139680) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is 5-(4-ethoxyphenoxy)-6-methoxy-2-methylsulfonylquinoline.

Molecular Properties

Compound Name5-(4-ethoxyphenoxy)-6-methoxy-2-methylsulfonylquinoline
PubChem CID22139680
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC Name5-(4-ethoxyphenoxy)-6-methoxy-2-methylsulfonylquinoline
SMILESCCOc1ccc(Oc2c(OC)ccc3nc(S(C)(=O)=O)ccc23)cc1
InChIInChI=1S/C19H19NO5S/c1-4-24-13-5-7-14(8-6-13)25-19-15-9-12-18(26(3,21)22)20-16(15)10-11-17(19)23-2/h5-12H,4H2,1-3H3
InChIKeyZSTACXOQVJGGFN-UHFFFAOYSA-N
XLogP3.84
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenoxy)-6-methoxy-2-methylsulfonylquinoline?
The IUPAC name of 5-(4-ethoxyphenoxy)-6-methoxy-2-methylsulfonylquinoline (CID 22139680) is 5-(4-ethoxyphenoxy)-6-methoxy-2-methylsulfonylquinoline.
What is the SMILES notation for 5-(4-ethoxyphenoxy)-6-methoxy-2-methylsulfonylquinoline?
The canonical SMILES for 5-(4-ethoxyphenoxy)-6-methoxy-2-methylsulfonylquinoline is CCOc1ccc(Oc2c(OC)ccc3nc(S(C)(=O)=O)ccc23)cc1.
What is the InChIKey of 5-(4-ethoxyphenoxy)-6-methoxy-2-methylsulfonylquinoline?
The InChIKey is ZSTACXOQVJGGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-4-24-13-5-7-14(8-6-13)25-19-15-9-12-18(26(3,21)22)20-16(15)10-11-17(19)23-2/h5-12H,4H2,1-3H3.
What are the key properties of 5-(4-ethoxyphenoxy)-6-methoxy-2-methylsulfonylquinoline?
5-(4-ethoxyphenoxy)-6-methoxy-2-methylsulfonylquinoline has a molecular weight of 373.43 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenoxy)-6-methoxy-2-methylsulfonylquinoline is sourced from PubChem (CID 22139680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).