7-bromo-2-[1-(1-ethoxyethyl)pyrazol-4-yl]quinoxaline

C15H15BrN4O — CID 164521994

IUPAC7-bromo-2-[1-(1-ethoxyethyl)pyrazol-4-yl]quinoxaline
SMILESCCOC(C)n1cc(-c2cnc3ccc(Br)cc3n2)cn1
InChIInChI=1S/C15H15BrN4O/c1-3-21-10(2)20-9-11(7-18-20)15-8-17-13-5-4-12(16)6-14(13)19-15/h4-10H,3H2,1-2H3
InChIKeyDCRBJMUDURCTBM-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.81
Rot. Bonds4

About 7-bromo-2-[1-(1-ethoxyethyl)pyrazol-4-yl]quinoxaline

7-bromo-2-[1-(1-ethoxyethyl)pyrazol-4-yl]quinoxaline (PubChem CID 164521994) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is 7-bromo-2-[1-(1-ethoxyethyl)pyrazol-4-yl]quinoxaline.

Molecular Properties

Compound Name7-bromo-2-[1-(1-ethoxyethyl)pyrazol-4-yl]quinoxaline
PubChem CID164521994
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC Name7-bromo-2-[1-(1-ethoxyethyl)pyrazol-4-yl]quinoxaline
SMILESCCOC(C)n1cc(-c2cnc3ccc(Br)cc3n2)cn1
InChIInChI=1S/C15H15BrN4O/c1-3-21-10(2)20-9-11(7-18-20)15-8-17-13-5-4-12(16)6-14(13)19-15/h4-10H,3H2,1-2H3
InChIKeyDCRBJMUDURCTBM-UHFFFAOYSA-N
XLogP3.81
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[1-(1-ethoxyethyl)pyrazol-4-yl]quinoxaline?
The IUPAC name of 7-bromo-2-[1-(1-ethoxyethyl)pyrazol-4-yl]quinoxaline (CID 164521994) is 7-bromo-2-[1-(1-ethoxyethyl)pyrazol-4-yl]quinoxaline.
What is the SMILES notation for 7-bromo-2-[1-(1-ethoxyethyl)pyrazol-4-yl]quinoxaline?
The canonical SMILES for 7-bromo-2-[1-(1-ethoxyethyl)pyrazol-4-yl]quinoxaline is CCOC(C)n1cc(-c2cnc3ccc(Br)cc3n2)cn1.
What is the InChIKey of 7-bromo-2-[1-(1-ethoxyethyl)pyrazol-4-yl]quinoxaline?
The InChIKey is DCRBJMUDURCTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c1-3-21-10(2)20-9-11(7-18-20)15-8-17-13-5-4-12(16)6-14(13)19-15/h4-10H,3H2,1-2H3.
What are the key properties of 7-bromo-2-[1-(1-ethoxyethyl)pyrazol-4-yl]quinoxaline?
7-bromo-2-[1-(1-ethoxyethyl)pyrazol-4-yl]quinoxaline has a molecular weight of 347.22 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[1-(1-ethoxyethyl)pyrazol-4-yl]quinoxaline is sourced from PubChem (CID 164521994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).