8-ethoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylquinoline

C20H22N4O3S — CID 15991639

IUPAC8-ethoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylquinoline
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c2cccnc12
InChIInChI=1S/C20H22N4O3S/c1-2-27-17-8-9-18(16-6-5-11-22-20(16)17)28(25,26)24-14-12-23(13-15-24)19-7-3-4-10-21-19/h3-11H,2,12-15H2,1H3
InChIKeyKWQSUXJDZBUJAV-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.54
Rot. Bonds5

About 8-ethoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylquinoline

8-ethoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylquinoline (PubChem CID 15991639) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 8-ethoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylquinoline.

Molecular Properties

Compound Name8-ethoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylquinoline
PubChem CID15991639
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name8-ethoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylquinoline
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c2cccnc12
InChIInChI=1S/C20H22N4O3S/c1-2-27-17-8-9-18(16-6-5-11-22-20(16)17)28(25,26)24-14-12-23(13-15-24)19-7-3-4-10-21-19/h3-11H,2,12-15H2,1H3
InChIKeyKWQSUXJDZBUJAV-UHFFFAOYSA-N
XLogP2.54
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-ethoxy-5-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylquinoline
CID 23963964
2-(5-pyrrolidin-1-ylsulfonylquinolin-8-yl)oxyacetic acid
CID 99988195
8-Ethoxy-5-quinolinesulfonic acid sodium salt monohydrate
CID 45157436
3-[4-(2,5-diethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060962
1-(4-ethoxynaphthalen-1-yl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 91669820
3-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121060936
1-(2,4-difluorophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 3465215
2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 2377022
3-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-pyridin-2-ylpyridazine
CID 90490637
ethyl 4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoate
CID 3890303
1-[1-(8-methoxyquinolin-5-yl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 154864069
1-(5-bromo-2-methylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 17460713

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylquinoline?
The IUPAC name of 8-ethoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylquinoline (CID 15991639) is 8-ethoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylquinoline.
What is the SMILES notation for 8-ethoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylquinoline?
The canonical SMILES for 8-ethoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylquinoline is CCOc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c2cccnc12.
What is the InChIKey of 8-ethoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylquinoline?
The InChIKey is KWQSUXJDZBUJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-2-27-17-8-9-18(16-6-5-11-22-20(16)17)28(25,26)24-14-12-23(13-15-24)19-7-3-4-10-21-19/h3-11H,2,12-15H2,1H3.
What are the key properties of 8-ethoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylquinoline?
8-ethoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylquinoline has a molecular weight of 398.49 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylquinoline is sourced from PubChem (CID 15991639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).