6-fluoro-7-(4-methylpiperazin-1-yl)-2,3-dithiophen-2-ylquinoxaline

C21H19FN4S2 — CID 10764062

IUPAC6-fluoro-7-(4-methylpiperazin-1-yl)-2,3-dithiophen-2-ylquinoxaline
SMILESCN1CCN(c2cc3nc(-c4cccs4)c(-c4cccs4)nc3cc2F)CC1
InChIInChI=1S/C21H19FN4S2/c1-25-6-8-26(9-7-25)17-13-16-15(12-14(17)22)23-20(18-4-2-10-27-18)21(24-16)19-5-3-11-28-19/h2-5,10-13H,6-9H2,1H3
InChIKeyBLOUFOUCYURJMS-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.98
Rot. Bonds3

About 6-fluoro-7-(4-methylpiperazin-1-yl)-2,3-dithiophen-2-ylquinoxaline

6-fluoro-7-(4-methylpiperazin-1-yl)-2,3-dithiophen-2-ylquinoxaline (PubChem CID 10764062) has the molecular formula C21H19FN4S2 and a molecular weight of 410.54 g/mol. Its IUPAC name is 6-fluoro-7-(4-methylpiperazin-1-yl)-2,3-dithiophen-2-ylquinoxaline.

Molecular Properties

Compound Name6-fluoro-7-(4-methylpiperazin-1-yl)-2,3-dithiophen-2-ylquinoxaline
PubChem CID10764062
Molecular FormulaC21H19FN4S2
Molecular Weight410.54 g/mol
Exact Mass410.10
IUPAC Name6-fluoro-7-(4-methylpiperazin-1-yl)-2,3-dithiophen-2-ylquinoxaline
SMILESCN1CCN(c2cc3nc(-c4cccs4)c(-c4cccs4)nc3cc2F)CC1
InChIInChI=1S/C21H19FN4S2/c1-25-6-8-26(9-7-25)17-13-16-15(12-14(17)22)23-20(18-4-2-10-27-18)21(24-16)19-5-3-11-28-19/h2-5,10-13H,6-9H2,1H3
InChIKeyBLOUFOUCYURJMS-UHFFFAOYSA-N
XLogP4.98
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-fluoro-7-(4-methylpiperazin-1-yl)quinoxaline
CID 15312350
1-(5-chloro-2-thiophen-2-ylphenyl)-4-methylpiperazine
CID 173148165
1-(2,4-difluorophenyl)-3-(4-methylpiperazin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555456
2-[6-fluoro-7-(4-methylpiperazin-1-yl)quinoxalin-2-yl]-3-hydroxyinden-1-one
CID 137183652
2,5-difluoro-4-(4-methylpiperazin-1-yl)phenol
CID 59447679
2,3-dithiophen-2-ylquinoxalin-6-ol
CID 142989779
6-bromo-2,3-dithiophen-2-ylquinoxaline
CID 130199488
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18198223
4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine
CID 10449071
1-(3,4-difluorophenyl)-3-(4-methylpiperazin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555395
2-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazole
CID 168555198
(2,3-dithiophen-2-ylquinoxalin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 129254431

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(4-methylpiperazin-1-yl)-2,3-dithiophen-2-ylquinoxaline?
The IUPAC name of 6-fluoro-7-(4-methylpiperazin-1-yl)-2,3-dithiophen-2-ylquinoxaline (CID 10764062) is 6-fluoro-7-(4-methylpiperazin-1-yl)-2,3-dithiophen-2-ylquinoxaline.
What is the SMILES notation for 6-fluoro-7-(4-methylpiperazin-1-yl)-2,3-dithiophen-2-ylquinoxaline?
The canonical SMILES for 6-fluoro-7-(4-methylpiperazin-1-yl)-2,3-dithiophen-2-ylquinoxaline is CN1CCN(c2cc3nc(-c4cccs4)c(-c4cccs4)nc3cc2F)CC1.
What is the InChIKey of 6-fluoro-7-(4-methylpiperazin-1-yl)-2,3-dithiophen-2-ylquinoxaline?
The InChIKey is BLOUFOUCYURJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4S2/c1-25-6-8-26(9-7-25)17-13-16-15(12-14(17)22)23-20(18-4-2-10-27-18)21(24-16)19-5-3-11-28-19/h2-5,10-13H,6-9H2,1H3.
What are the key properties of 6-fluoro-7-(4-methylpiperazin-1-yl)-2,3-dithiophen-2-ylquinoxaline?
6-fluoro-7-(4-methylpiperazin-1-yl)-2,3-dithiophen-2-ylquinoxaline has a molecular weight of 410.54 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(4-methylpiperazin-1-yl)-2,3-dithiophen-2-ylquinoxaline is sourced from PubChem (CID 10764062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).