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

C19H21N5O3S — CID 23963964

IUPAC8-ethoxy-5-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylquinoline
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)c2cccnc12
InChIInChI=1S/C19H21N5O3S/c1-2-27-16-5-6-17(15-4-3-7-22-19(15)16)28(25,26)24-12-10-23(11-13-24)18-14-20-8-9-21-18/h3-9,14H,2,10-13H2,1H3
InChIKeyPVRVDEHKZWKQOO-UHFFFAOYSA-N
MW399.48 g/mol
LogP1.93
Rot. Bonds5

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

8-ethoxy-5-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylquinoline (PubChem CID 23963964) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 8-ethoxy-5-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylquinoline.

Molecular Properties

Compound Name8-ethoxy-5-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylquinoline
PubChem CID23963964
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name8-ethoxy-5-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylquinoline
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)c2cccnc12
InChIInChI=1S/C19H21N5O3S/c1-2-27-16-5-6-17(15-4-3-7-22-19(15)16)28(25,26)24-12-10-23(11-13-24)18-14-20-8-9-21-18/h3-9,14H,2,10-13H2,1H3
InChIKeyPVRVDEHKZWKQOO-UHFFFAOYSA-N
XLogP1.93
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-ethoxy-5-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-ethoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylquinoline
CID 15991639
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
2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 2377022
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
(4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 86938426
2,4-dichloro-6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenol
CID 23962785
methyl 3-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxylate
CID 3709247
2-[4-(bromomethylsulfonyl)piperazin-1-yl]pyrazine
CID 83092433
8-ethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-5-sulfonamide
CID 126478575

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-5-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylquinoline?
The IUPAC name of 8-ethoxy-5-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylquinoline (CID 23963964) is 8-ethoxy-5-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylquinoline.
What is the SMILES notation for 8-ethoxy-5-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylquinoline?
The canonical SMILES for 8-ethoxy-5-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylquinoline is CCOc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)c2cccnc12.
What is the InChIKey of 8-ethoxy-5-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylquinoline?
The InChIKey is PVRVDEHKZWKQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-2-27-16-5-6-17(15-4-3-7-22-19(15)16)28(25,26)24-12-10-23(11-13-24)18-14-20-8-9-21-18/h3-9,14H,2,10-13H2,1H3.
What are the key properties of 8-ethoxy-5-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylquinoline?
8-ethoxy-5-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylquinoline has a molecular weight of 399.48 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-5-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylquinoline is sourced from PubChem (CID 23963964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).