3-[(2-bromophenyl)methyl]-1H-quinoxalin-2-one

C15H11BrN2O — CID 5053608

IUPAC3-[(2-bromophenyl)methyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1Cc1ccccc1Br
InChIInChI=1S/C15H11BrN2O/c16-11-6-2-1-5-10(11)9-14-15(19)18-13-8-4-3-7-12(13)17-14/h1-8H,9H2,(H,18,19)
InChIKeyOMRYXWGOLROOTM-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.28
Rot. Bonds2

About 3-[(2-bromophenyl)methyl]-1H-quinoxalin-2-one

3-[(2-bromophenyl)methyl]-1H-quinoxalin-2-one (PubChem CID 5053608) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl]-1H-quinoxalin-2-one
PubChem CID5053608
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name3-[(2-bromophenyl)methyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1Cc1ccccc1Br
InChIInChI=1S/C15H11BrN2O/c16-11-6-2-1-5-10(11)9-14-15(19)18-13-8-4-3-7-12(13)17-14/h1-8H,9H2,(H,18,19)
InChIKeyOMRYXWGOLROOTM-UHFFFAOYSA-N
XLogP3.28
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(2-bromophenyl)methyl]-1H-quinoxalin-2-one (CID 5053608) is 3-[(2-bromophenyl)methyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(2-bromophenyl)methyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(2-bromophenyl)methyl]-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1Cc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methyl]-1H-quinoxalin-2-one?
The InChIKey is OMRYXWGOLROOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-11-6-2-1-5-10(11)9-14-15(19)18-13-8-4-3-7-12(13)17-14/h1-8H,9H2,(H,18,19).
What are the key properties of 3-[(2-bromophenyl)methyl]-1H-quinoxalin-2-one?
3-[(2-bromophenyl)methyl]-1H-quinoxalin-2-one has a molecular weight of 315.17 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 5053608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).