2-[2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethoxy]benzonitrile

C23H24N4O3S — CID 55989762

IUPAC2-[2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethoxy]benzonitrile
SMILESCc1cnc2c(S(=O)(=O)N3CCN(CCOc4ccccc4C#N)CC3)cccc2c1
InChIInChI=1S/C23H24N4O3S/c1-18-15-19-6-4-8-22(23(19)25-17-18)31(28,29)27-11-9-26(10-12-27)13-14-30-21-7-3-2-5-20(21)16-24/h2-8,15,17H,9-14H2,1H3
InChIKeyZAPLMGJVADPBOY-UHFFFAOYSA-N
MW436.54 g/mol
LogP2.80
Rot. Bonds6

About 2-[2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethoxy]benzonitrile

2-[2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethoxy]benzonitrile (PubChem CID 55989762) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 2-[2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethoxy]benzonitrile
PubChem CID55989762
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name2-[2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethoxy]benzonitrile
SMILESCc1cnc2c(S(=O)(=O)N3CCN(CCOc4ccccc4C#N)CC3)cccc2c1
InChIInChI=1S/C23H24N4O3S/c1-18-15-19-6-4-8-22(23(19)25-17-18)31(28,29)27-11-9-26(10-12-27)13-14-30-21-7-3-2-5-20(21)16-24/h2-8,15,17H,9-14H2,1H3
InChIKeyZAPLMGJVADPBOY-UHFFFAOYSA-N
XLogP2.80
TPSA86.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methyl]benzonitrile
CID 31992064
3-methyl-8-(4-prop-2-ynylpiperazin-1-yl)sulfonylquinoline
CID 86989080
2-[4-[2-(3,5-dimethylphenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile
CID 8559446
3-methyl-8-[4-[(4-methylphenyl)methyl]piperazin-1-yl]sulfonylquinoline
CID 37088720
2-[4-[2-(2-nitrophenoxy)ethyl]piperazin-1-yl]sulfonylbenzonitrile
CID 55831268
N-(2-cyanoethyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 37091540
N-(3-chloro-4-cyanophenyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 31991565
3-methyl-8-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]sulfonylquinoline
CID 56550580
2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethoxy]benzonitrile
CID 136574461
4-[4-[2-(2-cyanophenoxy)ethyl]piperazin-1-yl]sulfonylbenzenesulfonamide
CID 55987931
N-(2-cyanoethyl)-N-methyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 46444234
3-methyl-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylquinoline
CID 30598898

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethoxy]benzonitrile?
The IUPAC name of 2-[2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethoxy]benzonitrile (CID 55989762) is 2-[2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethoxy]benzonitrile?
The canonical SMILES for 2-[2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethoxy]benzonitrile is Cc1cnc2c(S(=O)(=O)N3CCN(CCOc4ccccc4C#N)CC3)cccc2c1.
What is the InChIKey of 2-[2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethoxy]benzonitrile?
The InChIKey is ZAPLMGJVADPBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-18-15-19-6-4-8-22(23(19)25-17-18)31(28,29)27-11-9-26(10-12-27)13-14-30-21-7-3-2-5-20(21)16-24/h2-8,15,17H,9-14H2,1H3.
What are the key properties of 2-[2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethoxy]benzonitrile?
2-[2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethoxy]benzonitrile has a molecular weight of 436.54 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethoxy]benzonitrile is sourced from PubChem (CID 55989762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).