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

C14H9ClN4S — CID 18999804

IUPAC7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline
SMILESCn1cc2cc3ncc(-c4ccc(Cl)s4)nc3cc2n1
InChIInChI=1S/C14H9ClN4S/c1-19-7-8-4-10-11(5-9(8)18-19)17-12(6-16-10)13-2-3-14(15)20-13/h2-7H,1H3
InChIKeyULHRSQKKSIKQAO-UHFFFAOYSA-N
MW300.77 g/mol
LogP3.90
Rot. Bonds1

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

7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline (PubChem CID 18999804) has the molecular formula C14H9ClN4S and a molecular weight of 300.77 g/mol. Its IUPAC name is 7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline.

Molecular Properties

Compound Name7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline
PubChem CID18999804
Molecular FormulaC14H9ClN4S
Molecular Weight300.77 g/mol
Exact Mass300.02
IUPAC Name7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline
SMILESCn1cc2cc3ncc(-c4ccc(Cl)s4)nc3cc2n1
InChIInChI=1S/C14H9ClN4S/c1-19-7-8-4-10-11(5-9(8)18-19)17-12(6-16-10)13-2-3-14(15)20-13/h2-7H,1H3
InChIKeyULHRSQKKSIKQAO-UHFFFAOYSA-N
XLogP3.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline?
The IUPAC name of 7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline (CID 18999804) is 7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline.
What is the SMILES notation for 7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline?
The canonical SMILES for 7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline is Cn1cc2cc3ncc(-c4ccc(Cl)s4)nc3cc2n1.
What is the InChIKey of 7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline?
The InChIKey is ULHRSQKKSIKQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4S/c1-19-7-8-4-10-11(5-9(8)18-19)17-12(6-16-10)13-2-3-14(15)20-13/h2-7H,1H3.
What are the key properties of 7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline?
7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline has a molecular weight of 300.77 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chlorothiophen-2-yl)-2-methylpyrazolo[4,3-g]quinoxaline is sourced from PubChem (CID 18999804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).