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

C17H13BrN2O — CID 122189742

IUPAC6-bromo-3-[(E)-2-(4-methylphenyl)ethenyl]-1H-quinoxalin-2-one
SMILESCc1ccc(/C=C/c2nc3cc(Br)ccc3[nH]c2=O)cc1
InChIInChI=1S/C17H13BrN2O/c1-11-2-4-12(5-3-11)6-8-15-17(21)20-14-9-7-13(18)10-16(14)19-15/h2-10H,1H3,(H,20,21)/b8-6+
InChIKeyWYNCKSHQICRYSO-SOFGYWHQSA-N
MW341.21 g/mol
LogP4.16
Rot. Bonds2

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

6-bromo-3-[(E)-2-(4-methylphenyl)ethenyl]-1H-quinoxalin-2-one (PubChem CID 122189742) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 6-bromo-3-[(E)-2-(4-methylphenyl)ethenyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-bromo-3-[(E)-2-(4-methylphenyl)ethenyl]-1H-quinoxalin-2-one
PubChem CID122189742
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name6-bromo-3-[(E)-2-(4-methylphenyl)ethenyl]-1H-quinoxalin-2-one
SMILESCc1ccc(/C=C/c2nc3cc(Br)ccc3[nH]c2=O)cc1
InChIInChI=1S/C17H13BrN2O/c1-11-2-4-12(5-3-11)6-8-15-17(21)20-14-9-7-13(18)10-16(14)19-15/h2-10H,1H3,(H,20,21)/b8-6+
InChIKeyWYNCKSHQICRYSO-SOFGYWHQSA-N
XLogP4.16
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-phenylvinyl)-2(1H)-quinoxalinone
CID 5729506
2H-1,5-Benzodiazepin-2-one, 8-bromo-1,3-dihydro-4-phenyl-
CID 766267
3-(2-amino-5-bromophenyl)-1H-quinoxalin-2-one
CID 754594
3-[2-(4-fluorophenyl)vinyl]-2(1H)-quinoxalinone
CID 5741389
N-[4-[(E)-2-(3-oxo-4H-quinoxalin-2-yl)ethenyl]phenyl]acetamide
CID 9270083
3-[(E)-2-(2-bromophenyl)ethenyl]-1H-quinoxalin-2-one
CID 8253057
6-bromo-3-[(E)-2-(4-bromophenyl)ethenyl]-1H-quinoxalin-2-one
CID 122189740
N-[4-bromo-2-(3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl]acetamide
CID 1094795
3-(2-Phenylethenyl)quinoxalin-2(1h)-one
CID 234420
3-[(2-bromophenyl)methyl]-1H-quinoxalin-2-one
CID 5053608
(E)-3-(4-bromostyryl)quinoxalin-2(1H)-one
CID 6462656
3-(3-Bromophenyl)quinoxalin-2-one
CID 11738152

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(E)-2-(4-methylphenyl)ethenyl]-1H-quinoxalin-2-one?
The IUPAC name of 6-bromo-3-[(E)-2-(4-methylphenyl)ethenyl]-1H-quinoxalin-2-one (CID 122189742) is 6-bromo-3-[(E)-2-(4-methylphenyl)ethenyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 6-bromo-3-[(E)-2-(4-methylphenyl)ethenyl]-1H-quinoxalin-2-one?
The canonical SMILES for 6-bromo-3-[(E)-2-(4-methylphenyl)ethenyl]-1H-quinoxalin-2-one is Cc1ccc(/C=C/c2nc3cc(Br)ccc3[nH]c2=O)cc1.
What is the InChIKey of 6-bromo-3-[(E)-2-(4-methylphenyl)ethenyl]-1H-quinoxalin-2-one?
The InChIKey is WYNCKSHQICRYSO-SOFGYWHQSA-N. The full InChI is InChI=1S/C17H13BrN2O/c1-11-2-4-12(5-3-11)6-8-15-17(21)20-14-9-7-13(18)10-16(14)19-15/h2-10H,1H3,(H,20,21)/b8-6+.
What are the key properties of 6-bromo-3-[(E)-2-(4-methylphenyl)ethenyl]-1H-quinoxalin-2-one?
6-bromo-3-[(E)-2-(4-methylphenyl)ethenyl]-1H-quinoxalin-2-one has a molecular weight of 341.21 g/mol, XLogP of 4.16, 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-methylphenyl)ethenyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 122189742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).