6-bromo-3-cyclohexyl-3,4-dihydro-1H-quinoxalin-2-one

C14H17BrN2O — CID 79296114

IUPAC6-bromo-3-cyclohexyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1Nc2ccc(Br)cc2NC1C1CCCCC1
InChIInChI=1S/C14H17BrN2O/c15-10-6-7-11-12(8-10)16-13(14(18)17-11)9-4-2-1-3-5-9/h6-9,13,16H,1-5H2,(H,17,18)
InChIKeyMQENKDQMJOCIQR-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.76
Rot. Bonds1

About 6-bromo-3-cyclohexyl-3,4-dihydro-1H-quinoxalin-2-one

6-bromo-3-cyclohexyl-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 79296114) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 6-bromo-3-cyclohexyl-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-bromo-3-cyclohexyl-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID79296114
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name6-bromo-3-cyclohexyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1Nc2ccc(Br)cc2NC1C1CCCCC1
InChIInChI=1S/C14H17BrN2O/c15-10-6-7-11-12(8-10)16-13(14(18)17-11)9-4-2-1-3-5-9/h6-9,13,16H,1-5H2,(H,17,18)
InChIKeyMQENKDQMJOCIQR-UHFFFAOYSA-N
XLogP3.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-cyclohexyl-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 6-bromo-3-cyclohexyl-3,4-dihydro-1H-quinoxalin-2-one (CID 79296114) is 6-bromo-3-cyclohexyl-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 6-bromo-3-cyclohexyl-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 6-bromo-3-cyclohexyl-3,4-dihydro-1H-quinoxalin-2-one is O=C1Nc2ccc(Br)cc2NC1C1CCCCC1.
What is the InChIKey of 6-bromo-3-cyclohexyl-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is MQENKDQMJOCIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c15-10-6-7-11-12(8-10)16-13(14(18)17-11)9-4-2-1-3-5-9/h6-9,13,16H,1-5H2,(H,17,18).
What are the key properties of 6-bromo-3-cyclohexyl-3,4-dihydro-1H-quinoxalin-2-one?
6-bromo-3-cyclohexyl-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 309.21 g/mol, XLogP of 3.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-cyclohexyl-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 79296114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).