6-bromo-4-cyclohexyl-1,3-dihydroquinoxalin-2-one

C14H17BrN2O — CID 117006333

IUPAC6-bromo-4-cyclohexyl-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C2CCCCC2)c2cc(Br)ccc2N1
InChIInChI=1S/C14H17BrN2O/c15-10-6-7-12-13(8-10)17(9-14(18)16-12)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,16,18)
InChIKeyRYYUKXAJQSOUII-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.54
Rot. Bonds1

About 6-bromo-4-cyclohexyl-1,3-dihydroquinoxalin-2-one

6-bromo-4-cyclohexyl-1,3-dihydroquinoxalin-2-one (PubChem CID 117006333) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 6-bromo-4-cyclohexyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6-bromo-4-cyclohexyl-1,3-dihydroquinoxalin-2-one
PubChem CID117006333
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name6-bromo-4-cyclohexyl-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C2CCCCC2)c2cc(Br)ccc2N1
InChIInChI=1S/C14H17BrN2O/c15-10-6-7-12-13(8-10)17(9-14(18)16-12)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,16,18)
InChIKeyRYYUKXAJQSOUII-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-4-cyclohexyl-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-cycloheptyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
CID 117007047
6-bromo-4-cyclohexyl-2,3-dihydro-1H-quinoxaline
CID 117006433
4-cyclopentyl-6-fluoro-7-iodo-1,3-dihydroquinoxalin-2-one
CID 79291639
cyclohexyl 7-bromo-3-oxo-2,4-dihydroquinoxaline-1-carboxylate
CID 142508064
6-bromo-4-(piperidin-4-ylmethyl)-1,3-dihydroquinoxalin-2-one
CID 117030329
6-bromo-4-(oxolan-2-ylmethyl)-1,3-dihydroquinoxalin-2-one
CID 117006335
6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
CID 117006336
6-bromo-4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
CID 79290624
7-bromo-5-hydroxy-4-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 123380087
methyl 2-(7-bromo-3-oxo-2,4-dihydroquinoxalin-1-yl)acetate
CID 117030355
5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one
CID 43189941
8-bromo-6-phenyl-1,3,4,5-tetrahydro-1,6-benzodiazocin-2-one
CID 79291188

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-cyclohexyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 6-bromo-4-cyclohexyl-1,3-dihydroquinoxalin-2-one (CID 117006333) is 6-bromo-4-cyclohexyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 6-bromo-4-cyclohexyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 6-bromo-4-cyclohexyl-1,3-dihydroquinoxalin-2-one is O=C1CN(C2CCCCC2)c2cc(Br)ccc2N1.
What is the InChIKey of 6-bromo-4-cyclohexyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is RYYUKXAJQSOUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c15-10-6-7-12-13(8-10)17(9-14(18)16-12)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,16,18).
What are the key properties of 6-bromo-4-cyclohexyl-1,3-dihydroquinoxalin-2-one?
6-bromo-4-cyclohexyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 309.21 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-cyclohexyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 117006333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).