6-bromo-4-cyclohexyl-2,3-dihydro-1H-quinoxaline

C14H19BrN2 — CID 117006433

IUPAC6-bromo-4-cyclohexyl-2,3-dihydro-1H-quinoxaline
SMILESBrc1ccc2c(c1)N(C1CCCCC1)CCN2
InChIInChI=1S/C14H19BrN2/c15-11-6-7-13-14(10-11)17(9-8-16-13)12-4-2-1-3-5-12/h6-7,10,12,16H,1-5,8-9H2
InChIKeyUNFCXBFRUWCWCK-UHFFFAOYSA-N
MW295.22 g/mol
LogP4.01
Rot. Bonds1

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

6-bromo-4-cyclohexyl-2,3-dihydro-1H-quinoxaline (PubChem CID 117006433) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 6-bromo-4-cyclohexyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name6-bromo-4-cyclohexyl-2,3-dihydro-1H-quinoxaline
PubChem CID117006433
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name6-bromo-4-cyclohexyl-2,3-dihydro-1H-quinoxaline
SMILESBrc1ccc2c(c1)N(C1CCCCC1)CCN2
InChIInChI=1S/C14H19BrN2/c15-11-6-7-13-14(10-11)17(9-8-16-13)12-4-2-1-3-5-12/h6-7,10,12,16H,1-5,8-9H2
InChIKeyUNFCXBFRUWCWCK-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-cyclohexyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 6-bromo-4-cyclohexyl-2,3-dihydro-1H-quinoxaline (CID 117006433) is 6-bromo-4-cyclohexyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 6-bromo-4-cyclohexyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 6-bromo-4-cyclohexyl-2,3-dihydro-1H-quinoxaline is Brc1ccc2c(c1)N(C1CCCCC1)CCN2.
What is the InChIKey of 6-bromo-4-cyclohexyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is UNFCXBFRUWCWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c15-11-6-7-13-14(10-11)17(9-8-16-13)12-4-2-1-3-5-12/h6-7,10,12,16H,1-5,8-9H2.
What are the key properties of 6-bromo-4-cyclohexyl-2,3-dihydro-1H-quinoxaline?
6-bromo-4-cyclohexyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 295.22 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-cyclohexyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 117006433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).