1-[(4-bromophenyl)methyl]quinoxalin-2-one

C15H11BrN2O — CID 2379298

IUPAC1-[(4-bromophenyl)methyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1Cc1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O/c16-12-7-5-11(6-8-12)10-18-14-4-2-1-3-13(14)17-9-15(18)19/h1-9H,10H2
InChIKeyNJCOXWYTDFTBPC-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.21
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]quinoxalin-2-one

1-[(4-bromophenyl)methyl]quinoxalin-2-one (PubChem CID 2379298) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]quinoxalin-2-one
PubChem CID2379298
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name1-[(4-bromophenyl)methyl]quinoxalin-2-one
SMILESO=c1cnc2ccccc2n1Cc1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O/c16-12-7-5-11(6-8-12)10-18-14-4-2-1-3-13(14)17-9-15(18)19/h1-9H,10H2
InChIKeyNJCOXWYTDFTBPC-UHFFFAOYSA-N
XLogP3.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]quinoxalin-2-one?
The IUPAC name of 1-[(4-bromophenyl)methyl]quinoxalin-2-one (CID 2379298) is 1-[(4-bromophenyl)methyl]quinoxalin-2-one.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]quinoxalin-2-one?
The canonical SMILES for 1-[(4-bromophenyl)methyl]quinoxalin-2-one is O=c1cnc2ccccc2n1Cc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]quinoxalin-2-one?
The InChIKey is NJCOXWYTDFTBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-12-7-5-11(6-8-12)10-18-14-4-2-1-3-13(14)17-9-15(18)19/h1-9H,10H2.
What are the key properties of 1-[(4-bromophenyl)methyl]quinoxalin-2-one?
1-[(4-bromophenyl)methyl]quinoxalin-2-one has a molecular weight of 315.17 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]quinoxalin-2-one is sourced from PubChem (CID 2379298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).