8-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline

C22H25N3O4S — CID 3239518

IUPAC8-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)c2cccnc12
InChIInChI=1S/C22H25N3O4S/c1-3-29-20-10-11-21(17-7-6-12-23-22(17)20)30(26,27)25-15-13-24(14-16-25)18-8-4-5-9-19(18)28-2/h4-12H,3,13-16H2,1-2H3
InChIKeyADFASXFMQWSXME-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.15
Rot. Bonds6

About 8-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline

8-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline (PubChem CID 3239518) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 8-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name8-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline
PubChem CID3239518
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name8-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)c2cccnc12
InChIInChI=1S/C22H25N3O4S/c1-3-29-20-10-11-21(17-7-6-12-23-22(17)20)30(26,27)25-15-13-24(14-16-25)18-8-4-5-9-19(18)28-2/h4-12H,3,13-16H2,1-2H3
InChIKeyADFASXFMQWSXME-UHFFFAOYSA-N
XLogP3.15
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline?
The IUPAC name of 8-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline (CID 3239518) is 8-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline.
What is the SMILES notation for 8-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline?
The canonical SMILES for 8-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline is CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)c2cccnc12.
What is the InChIKey of 8-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline?
The InChIKey is ADFASXFMQWSXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-3-29-20-10-11-21(17-7-6-12-23-22(17)20)30(26,27)25-15-13-24(14-16-25)18-8-4-5-9-19(18)28-2/h4-12H,3,13-16H2,1-2H3.
What are the key properties of 8-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline?
8-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline has a molecular weight of 427.53 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylquinoline is sourced from PubChem (CID 3239518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).