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

C16H10Br2N2O — CID 122189740

IUPAC6-bromo-3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccc(Br)cc2nc1/C=C/c1ccc(Br)cc1
InChIInChI=1S/C16H10Br2N2O/c17-11-4-1-10(2-5-11)3-7-14-16(21)20-13-8-6-12(18)9-15(13)19-14/h1-9H,(H,20,21)/b7-3+
InChIKeyRLKXHYUEPAOOQY-XVNBXDOJSA-N
MW406.08 g/mol
LogP4.62
Rot. Bonds2

About 6-bromo-3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one

6-bromo-3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one (PubChem CID 122189740) has the molecular formula C16H10Br2N2O and a molecular weight of 406.08 g/mol. Its IUPAC name is 6-bromo-3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-bromo-3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one
PubChem CID122189740
Molecular FormulaC16H10Br2N2O
Molecular Weight406.08 g/mol
Exact Mass403.92
IUPAC Name6-bromo-3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccc(Br)cc2nc1/C=C/c1ccc(Br)cc1
InChIInChI=1S/C16H10Br2N2O/c17-11-4-1-10(2-5-11)3-7-14-16(21)20-13-8-6-12(18)9-15(13)19-14/h1-9H,(H,20,21)/b7-3+
InChIKeyRLKXHYUEPAOOQY-XVNBXDOJSA-N
XLogP4.62
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.08
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one?
The IUPAC name of 6-bromo-3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one (CID 122189740) is 6-bromo-3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 6-bromo-3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one?
The canonical SMILES for 6-bromo-3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one is O=c1[nH]c2ccc(Br)cc2nc1/C=C/c1ccc(Br)cc1.
What is the InChIKey of 6-bromo-3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one?
The InChIKey is RLKXHYUEPAOOQY-XVNBXDOJSA-N. The full InChI is InChI=1S/C16H10Br2N2O/c17-11-4-1-10(2-5-11)3-7-14-16(21)20-13-8-6-12(18)9-15(13)19-14/h1-9H,(H,20,21)/b7-3+.
What are the key properties of 6-bromo-3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one?
6-bromo-3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one has a molecular weight of 406.08 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 122189740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).