1-benzyl-6-bromoquinoxalin-2-one

C15H11BrN2O — CID 90152761

IUPAC1-benzyl-6-bromoquinoxalin-2-one
SMILESO=c1cnc2cc(Br)ccc2n1Cc1ccccc1
InChIInChI=1S/C15H11BrN2O/c16-12-6-7-14-13(8-12)17-9-15(19)18(14)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyYTVWYKDIBIRBQC-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.21
Rot. Bonds2

About 1-benzyl-6-bromoquinoxalin-2-one

1-benzyl-6-bromoquinoxalin-2-one (PubChem CID 90152761) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 1-benzyl-6-bromoquinoxalin-2-one.

Molecular Properties

Compound Name1-benzyl-6-bromoquinoxalin-2-one
PubChem CID90152761
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name1-benzyl-6-bromoquinoxalin-2-one
SMILESO=c1cnc2cc(Br)ccc2n1Cc1ccccc1
InChIInChI=1S/C15H11BrN2O/c16-12-6-7-14-13(8-12)17-9-15(19)18(14)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyYTVWYKDIBIRBQC-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-benzyl-6-bromoquinoxalin-2-one?
The IUPAC name of 1-benzyl-6-bromoquinoxalin-2-one (CID 90152761) is 1-benzyl-6-bromoquinoxalin-2-one.
What is the SMILES notation for 1-benzyl-6-bromoquinoxalin-2-one?
The canonical SMILES for 1-benzyl-6-bromoquinoxalin-2-one is O=c1cnc2cc(Br)ccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-bromoquinoxalin-2-one?
The InChIKey is YTVWYKDIBIRBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-12-6-7-14-13(8-12)17-9-15(19)18(14)10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 1-benzyl-6-bromoquinoxalin-2-one?
1-benzyl-6-bromoquinoxalin-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-benzyl-6-bromoquinoxalin-2-one is sourced from PubChem (CID 90152761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).