4-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-one

C14H17BrN2O — CID 117031145

IUPAC4-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-one
SMILESO=C1CCC(N2CCNc3cc(Br)ccc32)CC1
InChIInChI=1S/C14H17BrN2O/c15-10-1-6-14-13(9-10)16-7-8-17(14)11-2-4-12(18)5-3-11/h1,6,9,11,16H,2-5,7-8H2
InChIKeyOWDNZNLNJDMPOP-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.19
Rot. Bonds1

About 4-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-one

4-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-one (PubChem CID 117031145) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 4-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-one
PubChem CID117031145
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name4-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-one
SMILESO=C1CCC(N2CCNc3cc(Br)ccc32)CC1
InChIInChI=1S/C14H17BrN2O/c15-10-1-6-14-13(9-10)16-7-8-17(14)11-2-4-12(18)5-3-11/h1,6,9,11,16H,2-5,7-8H2
InChIKeyOWDNZNLNJDMPOP-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-one?
The IUPAC name of 4-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-one (CID 117031145) is 4-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-one?
The canonical SMILES for 4-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-one is O=C1CCC(N2CCNc3cc(Br)ccc32)CC1.
What is the InChIKey of 4-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-one?
The InChIKey is OWDNZNLNJDMPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c15-10-1-6-14-13(9-10)16-7-8-17(14)11-2-4-12(18)5-3-11/h1,6,9,11,16H,2-5,7-8H2.
What are the key properties of 4-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-one?
4-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-one has a molecular weight of 309.21 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-3,4-dihydro-2H-quinoxalin-1-yl)cyclohexan-1-one is sourced from PubChem (CID 117031145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).