7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one

C12H15BrN2O — CID 79290407

IUPAC7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCC(C)CC1Nc2ccc(Br)cc2NC1=O
InChIInChI=1S/C12H15BrN2O/c1-7(2)5-11-12(16)15-10-6-8(13)3-4-9(10)14-11/h3-4,6-7,11,14H,5H2,1-2H3,(H,15,16)
InChIKeyWHJUOZXECYALLR-UHFFFAOYSA-N
MW283.17 g/mol
LogP3.23
Rot. Bonds2

About 7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one

7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 79290407) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID79290407
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCC(C)CC1Nc2ccc(Br)cc2NC1=O
InChIInChI=1S/C12H15BrN2O/c1-7(2)5-11-12(16)15-10-6-8(13)3-4-9(10)14-11/h3-4,6-7,11,14H,5H2,1-2H3,(H,15,16)
InChIKeyWHJUOZXECYALLR-UHFFFAOYSA-N
XLogP3.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one (CID 79290407) is 7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one is CC(C)CC1Nc2ccc(Br)cc2NC1=O.
What is the InChIKey of 7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is WHJUOZXECYALLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-7(2)5-11-12(16)15-10-6-8(13)3-4-9(10)14-11/h3-4,6-7,11,14H,5H2,1-2H3,(H,15,16).
What are the key properties of 7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one?
7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 283.17 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 79290407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).