6-bromo-3-cyclohexyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one

C14H16BrFN2O — CID 116739803

IUPAC6-bromo-3-cyclohexyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1Nc2cc(F)c(Br)cc2NC1C1CCCCC1
InChIInChI=1S/C14H16BrFN2O/c15-9-6-11-12(7-10(9)16)18-14(19)13(17-11)8-4-2-1-3-5-8/h6-8,13,17H,1-5H2,(H,18,19)
InChIKeyHMNCFAWZIOBLCC-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.90
Rot. Bonds1

About 6-bromo-3-cyclohexyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one

6-bromo-3-cyclohexyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 116739803) has the molecular formula C14H16BrFN2O and a molecular weight of 327.20 g/mol. Its IUPAC name is 6-bromo-3-cyclohexyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-bromo-3-cyclohexyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID116739803
Molecular FormulaC14H16BrFN2O
Molecular Weight327.20 g/mol
Exact Mass326.04
IUPAC Name6-bromo-3-cyclohexyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1Nc2cc(F)c(Br)cc2NC1C1CCCCC1
InChIInChI=1S/C14H16BrFN2O/c15-9-6-11-12(7-10(9)16)18-14(19)13(17-11)8-4-2-1-3-5-8/h6-8,13,17H,1-5H2,(H,18,19)
InChIKeyHMNCFAWZIOBLCC-UHFFFAOYSA-N
XLogP3.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-bromo-3-cyclohexyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one with MolForge

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Related Compounds

3-bromo-2-fluoro-5,6a,7,8,9,10,10a,11-octahydrobenzo[b][1,4]benzodiazepin-6-one
CID 79295859
6-bromo-3-cyclohexyl-3,4-dihydro-1H-quinoxalin-2-one
CID 79296114
7-bromo-6-fluoro-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 113278973
6-bromo-7-fluoro-3-(methoxymethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 116739838
7-bromo-6-fluoro-3-(2-methylsulfonylethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 79290887
7-bromo-8-fluoro-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 79290408
6-bromo-7-fluoro-3-(2-phenylethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 114920979
7-bromo-8-fluoro-3-phenyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 116739793
5-cyclopentyl-2-sulfanylideneimidazolidin-4-one
CID 82997961
7-bromo-8-fluoro-3,3-dimethyl-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115429310
6-bromo-3-cyclohexyl-1,3-dihydroindol-2-one
CID 83853500
8-bromo-7-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 139310481

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-cyclohexyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 6-bromo-3-cyclohexyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one (CID 116739803) is 6-bromo-3-cyclohexyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 6-bromo-3-cyclohexyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 6-bromo-3-cyclohexyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one is O=C1Nc2cc(F)c(Br)cc2NC1C1CCCCC1.
What is the InChIKey of 6-bromo-3-cyclohexyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is HMNCFAWZIOBLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O/c15-9-6-11-12(7-10(9)16)18-14(19)13(17-11)8-4-2-1-3-5-8/h6-8,13,17H,1-5H2,(H,18,19).
What are the key properties of 6-bromo-3-cyclohexyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one?
6-bromo-3-cyclohexyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 327.20 g/mol, XLogP of 3.90, 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-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 116739803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).