3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one

C16H11BrN2O — CID 6462656

IUPAC3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1/C=C/c1ccc(Br)cc1
InChIInChI=1S/C16H11BrN2O/c17-12-8-5-11(6-9-12)7-10-15-16(20)19-14-4-2-1-3-13(14)18-15/h1-10H,(H,19,20)/b10-7+
InChIKeyGULQRJNAGKHXAK-JXMROGBWSA-N
MW327.18 g/mol
LogP3.86
Rot. Bonds2

About 3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one

3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one (PubChem CID 6462656) has the molecular formula C16H11BrN2O and a molecular weight of 327.18 g/mol. Its IUPAC name is 3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one
PubChem CID6462656
Molecular FormulaC16H11BrN2O
Molecular Weight327.18 g/mol
Exact Mass326.01
IUPAC Name3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1/C=C/c1ccc(Br)cc1
InChIInChI=1S/C16H11BrN2O/c17-12-8-5-11(6-9-12)7-10-15-16(20)19-14-4-2-1-3-13(14)18-15/h1-10H,(H,19,20)/b10-7+
InChIKeyGULQRJNAGKHXAK-JXMROGBWSA-N
XLogP3.86
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one (CID 6462656) is 3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1/C=C/c1ccc(Br)cc1.
What is the InChIKey of 3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one?
The InChIKey is GULQRJNAGKHXAK-JXMROGBWSA-N. The full InChI is InChI=1S/C16H11BrN2O/c17-12-8-5-11(6-9-12)7-10-15-16(20)19-14-4-2-1-3-13(14)18-15/h1-10H,(H,19,20)/b10-7+.
What are the key properties of 3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one?
3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one has a molecular weight of 327.18 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 6462656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).