6-bromo-1-methyl-3-(oxolan-2-yl)quinoxalin-2-one

C13H13BrN2O2 — CID 156695639

IUPAC6-bromo-1-methyl-3-(oxolan-2-yl)quinoxalin-2-one
SMILESCn1c(=O)c(C2CCCO2)nc2cc(Br)ccc21
InChIInChI=1S/C13H13BrN2O2/c1-16-10-5-4-8(14)7-9(10)15-12(13(16)17)11-3-2-6-18-11/h4-5,7,11H,2-3,6H2,1H3
InChIKeyGOZVDXQQTFGTEG-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.55
Rot. Bonds1

About 6-bromo-1-methyl-3-(oxolan-2-yl)quinoxalin-2-one

6-bromo-1-methyl-3-(oxolan-2-yl)quinoxalin-2-one (PubChem CID 156695639) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 6-bromo-1-methyl-3-(oxolan-2-yl)quinoxalin-2-one.

Molecular Properties

Compound Name6-bromo-1-methyl-3-(oxolan-2-yl)quinoxalin-2-one
PubChem CID156695639
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name6-bromo-1-methyl-3-(oxolan-2-yl)quinoxalin-2-one
SMILESCn1c(=O)c(C2CCCO2)nc2cc(Br)ccc21
InChIInChI=1S/C13H13BrN2O2/c1-16-10-5-4-8(14)7-9(10)15-12(13(16)17)11-3-2-6-18-11/h4-5,7,11H,2-3,6H2,1H3
InChIKeyGOZVDXQQTFGTEG-UHFFFAOYSA-N
XLogP2.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-3-(oxolan-2-yl)quinoxalin-2-one?
The IUPAC name of 6-bromo-1-methyl-3-(oxolan-2-yl)quinoxalin-2-one (CID 156695639) is 6-bromo-1-methyl-3-(oxolan-2-yl)quinoxalin-2-one.
What is the SMILES notation for 6-bromo-1-methyl-3-(oxolan-2-yl)quinoxalin-2-one?
The canonical SMILES for 6-bromo-1-methyl-3-(oxolan-2-yl)quinoxalin-2-one is Cn1c(=O)c(C2CCCO2)nc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-1-methyl-3-(oxolan-2-yl)quinoxalin-2-one?
The InChIKey is GOZVDXQQTFGTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-16-10-5-4-8(14)7-9(10)15-12(13(16)17)11-3-2-6-18-11/h4-5,7,11H,2-3,6H2,1H3.
What are the key properties of 6-bromo-1-methyl-3-(oxolan-2-yl)quinoxalin-2-one?
6-bromo-1-methyl-3-(oxolan-2-yl)quinoxalin-2-one has a molecular weight of 309.16 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methyl-3-(oxolan-2-yl)quinoxalin-2-one is sourced from PubChem (CID 156695639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).