2-piperidin-1-yl-7-[4-[2-(sulfinatoamino)ethyl]phenyl]quinoxaline

C21H23N4O2S- — CID 70872179

IUPAC2-piperidin-1-yl-7-[4-[2-(sulfinatoamino)ethyl]phenyl]quinoxaline
SMILESO=S([O-])NCCc1ccc(-c2ccc3ncc(N4CCCCC4)nc3c2)cc1
InChIInChI=1S/C21H24N4O2S/c26-28(27)23-11-10-16-4-6-17(7-5-16)18-8-9-19-20(14-18)24-21(15-22-19)25-12-2-1-3-13-25/h4-9,14-15,23H,1-3,10-13H2,(H,26,27)/p-1
InChIKeySMDHMLFAVSQHKT-UHFFFAOYSA-M
MW395.51 g/mol
LogP3.21
Rot. Bonds6

About 2-piperidin-1-yl-7-[4-[2-(sulfinatoamino)ethyl]phenyl]quinoxaline

2-piperidin-1-yl-7-[4-[2-(sulfinatoamino)ethyl]phenyl]quinoxaline (PubChem CID 70872179) has the molecular formula C21H23N4O2S- and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-piperidin-1-yl-7-[4-[2-(sulfinatoamino)ethyl]phenyl]quinoxaline.

Molecular Properties

Compound Name2-piperidin-1-yl-7-[4-[2-(sulfinatoamino)ethyl]phenyl]quinoxaline
PubChem CID70872179
Molecular FormulaC21H23N4O2S-
Molecular Weight395.51 g/mol
Exact Mass395.15
IUPAC Name2-piperidin-1-yl-7-[4-[2-(sulfinatoamino)ethyl]phenyl]quinoxaline
SMILESO=S([O-])NCCc1ccc(-c2ccc3ncc(N4CCCCC4)nc3c2)cc1
InChIInChI=1S/C21H24N4O2S/c26-28(27)23-11-10-16-4-6-17(7-5-16)18-8-9-19-20(14-18)24-21(15-22-19)25-12-2-1-3-13-25/h4-9,14-15,23H,1-3,10-13H2,(H,26,27)/p-1
InChIKeySMDHMLFAVSQHKT-UHFFFAOYSA-M
XLogP3.21
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

3-(3-piperidin-1-ylquinoxalin-6-yl)phenol
CID 67035904
7-(3-chlorophenyl)-2-piperidin-1-ylquinoxaline
CID 67035242
1-cyclohexyl-2-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone
CID 159328346
piperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone
CID 67035179
3-fluoro-5-(3-piperidin-1-ylquinoxalin-6-yl)phenol
CID 123608556
2-(3-piperidin-1-ylquinoxalin-6-yl)benzene-1,4-diol
CID 137154860
7-(2-fluoro-4-methylphenyl)-2-piperidin-1-ylquinoxaline
CID 67035498
N-[4-[3-(4-hydroxysulfanylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-2-phenylacetamide
CID 88961637
1-cyclopropyl-3-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]propan-2-one
CID 158380673
7-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline
CID 174665552
2,4-bis[4-[7-(4-hydroxyphenyl)quinoxalin-2-yl]piperazin-1-yl]pentan-3-one
CID 174665442
1-[4-(dimethylamino)phenyl]-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one
CID 157464006

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-7-[4-[2-(sulfinatoamino)ethyl]phenyl]quinoxaline?
The IUPAC name of 2-piperidin-1-yl-7-[4-[2-(sulfinatoamino)ethyl]phenyl]quinoxaline (CID 70872179) is 2-piperidin-1-yl-7-[4-[2-(sulfinatoamino)ethyl]phenyl]quinoxaline.
What is the SMILES notation for 2-piperidin-1-yl-7-[4-[2-(sulfinatoamino)ethyl]phenyl]quinoxaline?
The canonical SMILES for 2-piperidin-1-yl-7-[4-[2-(sulfinatoamino)ethyl]phenyl]quinoxaline is O=S([O-])NCCc1ccc(-c2ccc3ncc(N4CCCCC4)nc3c2)cc1.
What is the InChIKey of 2-piperidin-1-yl-7-[4-[2-(sulfinatoamino)ethyl]phenyl]quinoxaline?
The InChIKey is SMDHMLFAVSQHKT-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H24N4O2S/c26-28(27)23-11-10-16-4-6-17(7-5-16)18-8-9-19-20(14-18)24-21(15-22-19)25-12-2-1-3-13-25/h4-9,14-15,23H,1-3,10-13H2,(H,26,27)/p-1.
What are the key properties of 2-piperidin-1-yl-7-[4-[2-(sulfinatoamino)ethyl]phenyl]quinoxaline?
2-piperidin-1-yl-7-[4-[2-(sulfinatoamino)ethyl]phenyl]quinoxaline has a molecular weight of 395.51 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-7-[4-[2-(sulfinatoamino)ethyl]phenyl]quinoxaline is sourced from PubChem (CID 70872179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).