7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline

C28H18Cl2N8S2 — CID 18999868

IUPAC7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline
SMILESCn1cc2cc3ncc(-c4ccc(Cl)s4)nc3cc2n1.Cn1ncc2cc3ncc(-c4ccc(Cl)s4)nc3cc21
InChIInChI=1S/2C14H9ClN4S/c1-19-7-8-4-10-11(5-9(8)18-19)17-12(6-16-10)13-2-3-14(15)20-13;1-19-12-5-10-9(4-8(12)6-17-19)16-7-11(18-10)13-2-3-14(15)20-13/h2*2-7H,1H3
InChIKeyOEGFVIISMMQLKW-UHFFFAOYSA-N
MW601.55 g/mol
LogP7.80
Rot. Bonds2

About 7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline

7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline (PubChem CID 18999868) has the molecular formula C28H18Cl2N8S2 and a molecular weight of 601.55 g/mol. Its IUPAC name is 7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline.

Molecular Properties

Compound Name7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline
PubChem CID18999868
Molecular FormulaC28H18Cl2N8S2
Molecular Weight601.55 g/mol
Exact Mass600.05
IUPAC Name7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline
SMILESCn1cc2cc3ncc(-c4ccc(Cl)s4)nc3cc2n1.Cn1ncc2cc3ncc(-c4ccc(Cl)s4)nc3cc21
InChIInChI=1S/2C14H9ClN4S/c1-19-7-8-4-10-11(5-9(8)18-19)17-12(6-16-10)13-2-3-14(15)20-13;1-19-12-5-10-9(4-8(12)6-17-19)16-7-11(18-10)13-2-3-14(15)20-13/h2*2-7H,1H3
InChIKeyOEGFVIISMMQLKW-UHFFFAOYSA-N
XLogP7.80
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.55
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline with MolForge

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Related Compounds

6-(5-chlorothiophen-2-yl)-1H-pyrazolo[3,4-g]quinoxaline
CID 15814131
7-(5-chlorothien-2-yl)-1H-pyrazolo[3,4-g]quinoxaline
CID 15814132
7-(5-Chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline
CID 18999804
6-(5-chlorothien-2-yl)-1H-pyrazolo[3,4-g]quinoxaline 7-(5-chlorothien-2-yl)-1H-pyrazolo[3,4-g]quinoxaline
CID 18999820
1-Methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline
CID 18999862
1-methyl-7-(5-chlorothien-2-yl)-1H-pyrazolo[3,4-g]quinoxaline
CID 18999869
2-Methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline
CID 18999884
2-(2-methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;N-(7-thiophen-3-ylpyrazolo[4,3-g]quinoxalin-1-yl)acetamide
CID 18999891
1-(2-Methoxyethyl)-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline;2-methyl-7-thiophen-3-ylpyrazolo[4,3-g]quinoxaline
CID 70275626
1-[7-(5-Chlorothiophen-2-yl)pyrazolo[4,3-g]quinoxalin-2-yl]ethanone
CID 139766732
1-[7-(5-Chlorothiophen-2-yl)pyrazolo[4,3-g]quinoxalin-1-yl]ethanone
CID 139766733
7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-1H-pyrazolo[4,3-g]quinoxaline
CID 158066567

Frequently Asked Questions

What is the IUPAC name of 7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline?
The IUPAC name of 7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline (CID 18999868) is 7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline.
What is the SMILES notation for 7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline?
The canonical SMILES for 7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline is Cn1cc2cc3ncc(-c4ccc(Cl)s4)nc3cc2n1.Cn1ncc2cc3ncc(-c4ccc(Cl)s4)nc3cc21.
What is the InChIKey of 7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline?
The InChIKey is OEGFVIISMMQLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H9ClN4S/c1-19-7-8-4-10-11(5-9(8)18-19)17-12(6-16-10)13-2-3-14(15)20-13;1-19-12-5-10-9(4-8(12)6-17-19)16-7-11(18-10)13-2-3-14(15)20-13/h2*2-7H,1H3.
What are the key properties of 7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline?
7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline has a molecular weight of 601.55 g/mol, XLogP of 7.80, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chlorothiophen-2-yl)-1-methylpyrazolo[4,3-g]quinoxaline;7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline is sourced from PubChem (CID 18999868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).