3-(3-bromophenyl)-1H-quinoxalin-2-one

C14H9BrN2O — CID 11738152

IUPAC3-(3-bromophenyl)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1-c1cccc(Br)c1
InChIInChI=1S/C14H9BrN2O/c15-10-5-3-4-9(8-10)13-14(18)17-12-7-2-1-6-11(12)16-13/h1-8H,(H,17,18)
InChIKeyLJMBUIKFRPYIPE-UHFFFAOYSA-N
MW301.14 g/mol
LogP3.35
Rot. Bonds1

About 3-(3-bromophenyl)-1H-quinoxalin-2-one

3-(3-bromophenyl)-1H-quinoxalin-2-one (PubChem CID 11738152) has the molecular formula C14H9BrN2O and a molecular weight of 301.14 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(3-bromophenyl)-1H-quinoxalin-2-one
PubChem CID11738152
Molecular FormulaC14H9BrN2O
Molecular Weight301.14 g/mol
Exact Mass299.99
IUPAC Name3-(3-bromophenyl)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1-c1cccc(Br)c1
InChIInChI=1S/C14H9BrN2O/c15-10-5-3-4-9(8-10)13-14(18)17-12-7-2-1-6-11(12)16-13/h1-8H,(H,17,18)
InChIKeyLJMBUIKFRPYIPE-UHFFFAOYSA-N
XLogP3.35
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-1H-quinoxalin-2-one?
The IUPAC name of 3-(3-bromophenyl)-1H-quinoxalin-2-one (CID 11738152) is 3-(3-bromophenyl)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(3-bromophenyl)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(3-bromophenyl)-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1-c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-1H-quinoxalin-2-one?
The InChIKey is LJMBUIKFRPYIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O/c15-10-5-3-4-9(8-10)13-14(18)17-12-7-2-1-6-11(12)16-13/h1-8H,(H,17,18).
What are the key properties of 3-(3-bromophenyl)-1H-quinoxalin-2-one?
3-(3-bromophenyl)-1H-quinoxalin-2-one has a molecular weight of 301.14 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-1H-quinoxalin-2-one is sourced from PubChem (CID 11738152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).