7-bromo-1-(2,5-dimethylphenyl)-3,4-dihydroquinoxalin-2-one

C16H15BrN2O — CID 117006314

IUPAC7-bromo-1-(2,5-dimethylphenyl)-3,4-dihydroquinoxalin-2-one
SMILESCc1ccc(C)c(N2C(=O)CNc3ccc(Br)cc32)c1
InChIInChI=1S/C16H15BrN2O/c1-10-3-4-11(2)14(7-10)19-15-8-12(17)5-6-13(15)18-9-16(19)20/h3-8,18H,9H2,1-2H3
InChIKeyLBXXAOQVVYTKFV-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.16
Rot. Bonds1

About 7-bromo-1-(2,5-dimethylphenyl)-3,4-dihydroquinoxalin-2-one

7-bromo-1-(2,5-dimethylphenyl)-3,4-dihydroquinoxalin-2-one (PubChem CID 117006314) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 7-bromo-1-(2,5-dimethylphenyl)-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-1-(2,5-dimethylphenyl)-3,4-dihydroquinoxalin-2-one
PubChem CID117006314
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name7-bromo-1-(2,5-dimethylphenyl)-3,4-dihydroquinoxalin-2-one
SMILESCc1ccc(C)c(N2C(=O)CNc3ccc(Br)cc32)c1
InChIInChI=1S/C16H15BrN2O/c1-10-3-4-11(2)14(7-10)19-15-8-12(17)5-6-13(15)18-9-16(19)20/h3-8,18H,9H2,1-2H3
InChIKeyLBXXAOQVVYTKFV-UHFFFAOYSA-N
XLogP4.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bromo-1-(2,5-dimethylphenyl)-3,4-dihydroquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(2,5-dimethylphenyl)-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 7-bromo-1-(2,5-dimethylphenyl)-3,4-dihydroquinoxalin-2-one (CID 117006314) is 7-bromo-1-(2,5-dimethylphenyl)-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-bromo-1-(2,5-dimethylphenyl)-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 7-bromo-1-(2,5-dimethylphenyl)-3,4-dihydroquinoxalin-2-one is Cc1ccc(C)c(N2C(=O)CNc3ccc(Br)cc32)c1.
What is the InChIKey of 7-bromo-1-(2,5-dimethylphenyl)-3,4-dihydroquinoxalin-2-one?
The InChIKey is LBXXAOQVVYTKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-10-3-4-11(2)14(7-10)19-15-8-12(17)5-6-13(15)18-9-16(19)20/h3-8,18H,9H2,1-2H3.
What are the key properties of 7-bromo-1-(2,5-dimethylphenyl)-3,4-dihydroquinoxalin-2-one?
7-bromo-1-(2,5-dimethylphenyl)-3,4-dihydroquinoxalin-2-one has a molecular weight of 331.21 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(2,5-dimethylphenyl)-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 117006314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).