6-bromo-4-(oxolan-2-ylmethyl)-1,3-dihydroquinoxalin-2-one

C13H15BrN2O2 — CID 117006335

IUPAC6-bromo-4-(oxolan-2-ylmethyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(CC2CCCO2)c2cc(Br)ccc2N1
InChIInChI=1S/C13H15BrN2O2/c14-9-3-4-11-12(6-9)16(8-13(17)15-11)7-10-2-1-5-18-10/h3-4,6,10H,1-2,5,7-8H2,(H,15,17)
InChIKeyXTIVGBHOCVXZHS-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.39
Rot. Bonds2

About 6-bromo-4-(oxolan-2-ylmethyl)-1,3-dihydroquinoxalin-2-one

6-bromo-4-(oxolan-2-ylmethyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 117006335) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 6-bromo-4-(oxolan-2-ylmethyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6-bromo-4-(oxolan-2-ylmethyl)-1,3-dihydroquinoxalin-2-one
PubChem CID117006335
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name6-bromo-4-(oxolan-2-ylmethyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(CC2CCCO2)c2cc(Br)ccc2N1
InChIInChI=1S/C13H15BrN2O2/c14-9-3-4-11-12(6-9)16(8-13(17)15-11)7-10-2-1-5-18-10/h3-4,6,10H,1-2,5,7-8H2,(H,15,17)
InChIKeyXTIVGBHOCVXZHS-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-4-(piperidin-4-ylmethyl)-1,3-dihydroquinoxalin-2-one
CID 117030329
6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
CID 117006336
6-bromo-4-cyclohexyl-1,3-dihydroquinoxalin-2-one
CID 117006333
1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64872858
3-cyclopropyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64879241
3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione
CID 64881514
1-methyl-4-(oxolan-2-ylmethyl)-3H-quinoxalin-2-one
CID 117006680
(3R,3'aS,8'aS,8'bS)-5-bromo-2'-[[(2R)-oxolan-2-yl]methyl]spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
CID 124894716
4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione
CID 63789085
6-bromo-3-(oxolan-2-ylmethyl)-1H-benzimidazole-2-thione
CID 43659817
3-oxo-N-[[(2S)-oxolan-2-yl]methyl]-2,4-dihydroquinoxaline-1-carbothioamide
CID 8659578
4-bromo-2-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 46840100

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(oxolan-2-ylmethyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 6-bromo-4-(oxolan-2-ylmethyl)-1,3-dihydroquinoxalin-2-one (CID 117006335) is 6-bromo-4-(oxolan-2-ylmethyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 6-bromo-4-(oxolan-2-ylmethyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 6-bromo-4-(oxolan-2-ylmethyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(CC2CCCO2)c2cc(Br)ccc2N1.
What is the InChIKey of 6-bromo-4-(oxolan-2-ylmethyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is XTIVGBHOCVXZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c14-9-3-4-11-12(6-9)16(8-13(17)15-11)7-10-2-1-5-18-10/h3-4,6,10H,1-2,5,7-8H2,(H,15,17).
What are the key properties of 6-bromo-4-(oxolan-2-ylmethyl)-1,3-dihydroquinoxalin-2-one?
6-bromo-4-(oxolan-2-ylmethyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 311.18 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(oxolan-2-ylmethyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 117006335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).