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

C21H15BrN2O — CID 129286565

IUPAC1-benzyl-3-(3-bromophenyl)quinoxalin-2-one
SMILESO=c1c(-c2cccc(Br)c2)nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C21H15BrN2O/c22-17-10-6-9-16(13-17)20-21(25)24(14-15-7-2-1-3-8-15)19-12-5-4-11-18(19)23-20/h1-13H,14H2
InChIKeyDXILRSODQRBWNL-UHFFFAOYSA-N
MW391.27 g/mol
LogP4.87
Rot. Bonds3

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

1-benzyl-3-(3-bromophenyl)quinoxalin-2-one (PubChem CID 129286565) has the molecular formula C21H15BrN2O and a molecular weight of 391.27 g/mol. Its IUPAC name is 1-benzyl-3-(3-bromophenyl)quinoxalin-2-one.

Molecular Properties

Compound Name1-benzyl-3-(3-bromophenyl)quinoxalin-2-one
PubChem CID129286565
Molecular FormulaC21H15BrN2O
Molecular Weight391.27 g/mol
Exact Mass390.04
IUPAC Name1-benzyl-3-(3-bromophenyl)quinoxalin-2-one
SMILESO=c1c(-c2cccc(Br)c2)nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C21H15BrN2O/c22-17-10-6-9-16(13-17)20-21(25)24(14-15-7-2-1-3-8-15)19-12-5-4-11-18(19)23-20/h1-13H,14H2
InChIKeyDXILRSODQRBWNL-UHFFFAOYSA-N
XLogP4.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-bromophenyl)quinoxalin-2-one?
The IUPAC name of 1-benzyl-3-(3-bromophenyl)quinoxalin-2-one (CID 129286565) is 1-benzyl-3-(3-bromophenyl)quinoxalin-2-one.
What is the SMILES notation for 1-benzyl-3-(3-bromophenyl)quinoxalin-2-one?
The canonical SMILES for 1-benzyl-3-(3-bromophenyl)quinoxalin-2-one is O=c1c(-c2cccc(Br)c2)nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(3-bromophenyl)quinoxalin-2-one?
The InChIKey is DXILRSODQRBWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN2O/c22-17-10-6-9-16(13-17)20-21(25)24(14-15-7-2-1-3-8-15)19-12-5-4-11-18(19)23-20/h1-13H,14H2.
What are the key properties of 1-benzyl-3-(3-bromophenyl)quinoxalin-2-one?
1-benzyl-3-(3-bromophenyl)quinoxalin-2-one has a molecular weight of 391.27 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-bromophenyl)quinoxalin-2-one is sourced from PubChem (CID 129286565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).