2-(4-methylpiperazin-1-yl)-3-phenylsulfanylquinoxaline

C19H20N4S — CID 24853529

IUPAC2-(4-methylpiperazin-1-yl)-3-phenylsulfanylquinoxaline
SMILESCN1CCN(c2nc3ccccc3nc2Sc2ccccc2)CC1
InChIInChI=1S/C19H20N4S/c1-22-11-13-23(14-12-22)18-19(24-15-7-3-2-4-8-15)21-17-10-6-5-9-16(17)20-18/h2-10H,11-14H2,1H3
InChIKeyWCRJHTJTIYOSMJ-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.53
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-3-phenylsulfanylquinoxaline

2-(4-methylpiperazin-1-yl)-3-phenylsulfanylquinoxaline (PubChem CID 24853529) has the molecular formula C19H20N4S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-3-phenylsulfanylquinoxaline.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-3-phenylsulfanylquinoxaline
PubChem CID24853529
Molecular FormulaC19H20N4S
Molecular Weight336.46 g/mol
Exact Mass336.14
IUPAC Name2-(4-methylpiperazin-1-yl)-3-phenylsulfanylquinoxaline
SMILESCN1CCN(c2nc3ccccc3nc2Sc2ccccc2)CC1
InChIInChI=1S/C19H20N4S/c1-22-11-13-23(14-12-22)18-19(24-15-7-3-2-4-8-15)21-17-10-6-5-9-16(17)20-18/h2-10H,11-14H2,1H3
InChIKeyWCRJHTJTIYOSMJ-UHFFFAOYSA-N
XLogP3.53
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Quinoxalinecarbonitrile, 3-(4-(2-propenyl)-1-piperazinyl)-
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Vuf-10148
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2-(4-Phenyl-1-piperazinyl)quinoxaline
CID 3812356
2-(Benzenesulfonyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile
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Cambridge id 5745286
CID 767246
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1-[3-(Benzenesulfonyl)quinoxalin-2-yl]piperidin-4-ol
CID 70685462
2-(benzenesulfonyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxaline
CID 70689663
4-[3-(Benzenesulfonyl)quinoxalin-2-yl]morpholine
CID 70691801
1-[3-(Benzenesulfonyl)quinoxalin-2-yl]piperidin-3-ol
CID 70693865
2-(Benzenesulfonyl)-2-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]acetonitrile
CID 662247

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-3-phenylsulfanylquinoxaline?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-3-phenylsulfanylquinoxaline (CID 24853529) is 2-(4-methylpiperazin-1-yl)-3-phenylsulfanylquinoxaline.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-3-phenylsulfanylquinoxaline?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-3-phenylsulfanylquinoxaline is CN1CCN(c2nc3ccccc3nc2Sc2ccccc2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-3-phenylsulfanylquinoxaline?
The InChIKey is WCRJHTJTIYOSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4S/c1-22-11-13-23(14-12-22)18-19(24-15-7-3-2-4-8-15)21-17-10-6-5-9-16(17)20-18/h2-10H,11-14H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-3-phenylsulfanylquinoxaline?
2-(4-methylpiperazin-1-yl)-3-phenylsulfanylquinoxaline has a molecular weight of 336.46 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-3-phenylsulfanylquinoxaline is sourced from PubChem (CID 24853529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).