6-bromo-4-butyl-1-methyl-3H-quinoxalin-2-one

C13H17BrN2O — CID 117006406

IUPAC6-bromo-4-butyl-1-methyl-3H-quinoxalin-2-one
SMILESCCCCN1CC(=O)N(C)c2ccc(Br)cc21
InChIInChI=1S/C13H17BrN2O/c1-3-4-7-16-9-13(17)15(2)11-6-5-10(14)8-12(11)16/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyNORWFGPVOFCUMX-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.03
Rot. Bonds3

About 6-bromo-4-butyl-1-methyl-3H-quinoxalin-2-one

6-bromo-4-butyl-1-methyl-3H-quinoxalin-2-one (PubChem CID 117006406) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 6-bromo-4-butyl-1-methyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name6-bromo-4-butyl-1-methyl-3H-quinoxalin-2-one
PubChem CID117006406
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name6-bromo-4-butyl-1-methyl-3H-quinoxalin-2-one
SMILESCCCCN1CC(=O)N(C)c2ccc(Br)cc21
InChIInChI=1S/C13H17BrN2O/c1-3-4-7-16-9-13(17)15(2)11-6-5-10(14)8-12(11)16/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyNORWFGPVOFCUMX-UHFFFAOYSA-N
XLogP3.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-1-methyl-4-(3-oxobutyl)-3H-quinoxalin-2-one
CID 117030471
6-bromo-1-methyl-4-(2-methylpropyl)-3H-quinoxalin-2-one
CID 117006407
4-(6-bromo-4-methyl-3-oxo-2H-quinoxalin-1-yl)butanoic acid
CID 117031059
2-(6-bromo-4-methyl-3-oxo-2H-quinoxalin-1-yl)acetic acid
CID 117031057
2-(6-bromo-4-methyl-3-oxo-2H-quinoxalin-1-yl)acetonitrile
CID 117031070
4-(3-aminobutyl)-7-bromo-1-methyl-3H-quinoxalin-2-one
CID 117031039
7-bromo-4-pentyl-1,3-dihydroquinoxalin-2-one
CID 117006831
1,4-dibutylpiperazine-2,5-dione
CID 19902955
3-(7-bromo-1-methyl-2-oxo-3,4-dihydro-1,5-benzodiazepin-5-yl)propanoic acid
CID 84646211
1-butyl-3-methylimidazolidine-2,4-dione;ethane
CID 176672470
1-methyl-2-oxo-4-(2-sulfanylethyl)-3H-quinoxaline-6-carboxylic acid
CID 117030638
6-bromo-4-butyl-2,3-dihydro-1H-quinoxaline
CID 83515806

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-butyl-1-methyl-3H-quinoxalin-2-one?
The IUPAC name of 6-bromo-4-butyl-1-methyl-3H-quinoxalin-2-one (CID 117006406) is 6-bromo-4-butyl-1-methyl-3H-quinoxalin-2-one.
What is the SMILES notation for 6-bromo-4-butyl-1-methyl-3H-quinoxalin-2-one?
The canonical SMILES for 6-bromo-4-butyl-1-methyl-3H-quinoxalin-2-one is CCCCN1CC(=O)N(C)c2ccc(Br)cc21.
What is the InChIKey of 6-bromo-4-butyl-1-methyl-3H-quinoxalin-2-one?
The InChIKey is NORWFGPVOFCUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-3-4-7-16-9-13(17)15(2)11-6-5-10(14)8-12(11)16/h5-6,8H,3-4,7,9H2,1-2H3.
What are the key properties of 6-bromo-4-butyl-1-methyl-3H-quinoxalin-2-one?
6-bromo-4-butyl-1-methyl-3H-quinoxalin-2-one has a molecular weight of 297.20 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-butyl-1-methyl-3H-quinoxalin-2-one is sourced from PubChem (CID 117006406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).