4-(5-bromo-2-chloropyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one

C12H8BrClN4O — CID 79076681

IUPAC4-(5-bromo-2-chloropyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(c2nc(Cl)ncc2Br)c2ccccc2N1
InChIInChI=1S/C12H8BrClN4O/c13-7-5-15-12(14)17-11(7)18-6-10(19)16-8-3-1-2-4-9(8)18/h1-5H,6H2,(H,16,19)
InChIKeyHQGDTFLGRNKUIX-UHFFFAOYSA-N
MW339.58 g/mol
LogP2.98
Rot. Bonds1

About 4-(5-bromo-2-chloropyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one

4-(5-bromo-2-chloropyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one (PubChem CID 79076681) has the molecular formula C12H8BrClN4O and a molecular weight of 339.58 g/mol. Its IUPAC name is 4-(5-bromo-2-chloropyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(5-bromo-2-chloropyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one
PubChem CID79076681
Molecular FormulaC12H8BrClN4O
Molecular Weight339.58 g/mol
Exact Mass337.96
IUPAC Name4-(5-bromo-2-chloropyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(c2nc(Cl)ncc2Br)c2ccccc2N1
InChIInChI=1S/C12H8BrClN4O/c13-7-5-15-12(14)17-11(7)18-6-10(19)16-8-3-1-2-4-9(8)18/h1-5H,6H2,(H,16,19)
InChIKeyHQGDTFLGRNKUIX-UHFFFAOYSA-N
XLogP2.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.58
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-bromo-2-chloropyrimidin-4-yl)-1,3-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

Related Compounds

4-(3-amino-5-bromo-2-pyridinyl)-1,3-dihydroquinoxalin-2-one
CID 61228469
4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one
CID 136970720
4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 117006597
4-[2-(ethylamino)-5-fluoropyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one
CID 80749967
4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one
CID 15894106
3-(5-bromo-2-chloropyrimidin-4-yl)-1,3-oxazolidin-2-one
CID 132608321
4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
CID 28822158
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbothioamide
CID 28822400
2-chloro-9-phenyl-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 58153911
6-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile
CID 28822352
4-(6-amino-5-propylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one
CID 80750407
4-[4-(aminomethyl)-2-bromophenyl]-1,3-dihydroquinoxalin-2-one
CID 82794081

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-chloropyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(5-bromo-2-chloropyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one (CID 79076681) is 4-(5-bromo-2-chloropyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(5-bromo-2-chloropyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(5-bromo-2-chloropyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one is O=C1CN(c2nc(Cl)ncc2Br)c2ccccc2N1.
What is the InChIKey of 4-(5-bromo-2-chloropyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is HQGDTFLGRNKUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN4O/c13-7-5-15-12(14)17-11(7)18-6-10(19)16-8-3-1-2-4-9(8)18/h1-5H,6H2,(H,16,19).
What are the key properties of 4-(5-bromo-2-chloropyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one?
4-(5-bromo-2-chloropyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 339.58 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-chloropyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 79076681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).