7-bromo-4-methyl-1-propan-2-yl-3H-quinoxalin-2-one

C12H15BrN2O — CID 117006371

IUPAC7-bromo-4-methyl-1-propan-2-yl-3H-quinoxalin-2-one
SMILESCC(C)N1C(=O)CN(C)c2ccc(Br)cc21
InChIInChI=1S/C12H15BrN2O/c1-8(2)15-11-6-9(13)4-5-10(11)14(3)7-12(15)16/h4-6,8H,7H2,1-3H3
InChIKeyLTPGTPBFXFLWJQ-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.64
Rot. Bonds1

About 7-bromo-4-methyl-1-propan-2-yl-3H-quinoxalin-2-one

7-bromo-4-methyl-1-propan-2-yl-3H-quinoxalin-2-one (PubChem CID 117006371) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 7-bromo-4-methyl-1-propan-2-yl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-4-methyl-1-propan-2-yl-3H-quinoxalin-2-one
PubChem CID117006371
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name7-bromo-4-methyl-1-propan-2-yl-3H-quinoxalin-2-one
SMILESCC(C)N1C(=O)CN(C)c2ccc(Br)cc21
InChIInChI=1S/C12H15BrN2O/c1-8(2)15-11-6-9(13)4-5-10(11)14(3)7-12(15)16/h4-6,8H,7H2,1-3H3
InChIKeyLTPGTPBFXFLWJQ-UHFFFAOYSA-N
XLogP2.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-oxo-4-propan-2-yl-2H-quinoxaline-6-carbonitrile
CID 117007061
7-bromo-4-methyl-1-(3-methylbutyl)-3H-quinoxalin-2-one
CID 117006391
7-bromo-4-propan-2-yl-1,4-benzothiazin-3-one
CID 84615707
7-bromo-1-cyclopropyl-4-methyl-3H-quinoxalin-2-one
CID 117006372
7-bromo-1-(2-hydroxyethyl)-4-methyl-3H-quinoxalin-2-one
CID 117030398
1-methyl-3-propan-2-ylimidazolidine-2,4-dione
CID 18669456
7-bromo-1-(2-methoxyethyl)-4-methyl-3H-quinoxalin-2-one
CID 117006379
7-bromo-4-methyl-1-(3-methylphenyl)-3H-quinoxalin-2-one
CID 117006395
7-bromo-4-methyl-1-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one
CID 117030394
6-bromo-1-methyl-4-(2-methylpropyl)-3H-quinoxalin-2-one
CID 117006407
4-(6-bromo-4-methyl-2-oxo-3H-quinoxalin-1-yl)butanoic acid
CID 117031007
6-bromo-4-methyl-1-(pyridin-4-ylmethyl)-3H-quinoxalin-2-one
CID 117006871

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methyl-1-propan-2-yl-3H-quinoxalin-2-one?
The IUPAC name of 7-bromo-4-methyl-1-propan-2-yl-3H-quinoxalin-2-one (CID 117006371) is 7-bromo-4-methyl-1-propan-2-yl-3H-quinoxalin-2-one.
What is the SMILES notation for 7-bromo-4-methyl-1-propan-2-yl-3H-quinoxalin-2-one?
The canonical SMILES for 7-bromo-4-methyl-1-propan-2-yl-3H-quinoxalin-2-one is CC(C)N1C(=O)CN(C)c2ccc(Br)cc21.
What is the InChIKey of 7-bromo-4-methyl-1-propan-2-yl-3H-quinoxalin-2-one?
The InChIKey is LTPGTPBFXFLWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8(2)15-11-6-9(13)4-5-10(11)14(3)7-12(15)16/h4-6,8H,7H2,1-3H3.
What are the key properties of 7-bromo-4-methyl-1-propan-2-yl-3H-quinoxalin-2-one?
7-bromo-4-methyl-1-propan-2-yl-3H-quinoxalin-2-one has a molecular weight of 283.17 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methyl-1-propan-2-yl-3H-quinoxalin-2-one is sourced from PubChem (CID 117006371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).