5-bromo-4-ethyl-2,3-dihydro-1H-quinoxaline

C10H13BrN2 — CID 115094968

IUPAC5-bromo-4-ethyl-2,3-dihydro-1H-quinoxaline
SMILESCCN1CCNc2cccc(Br)c21
InChIInChI=1S/C10H13BrN2/c1-2-13-7-6-12-9-5-3-4-8(11)10(9)13/h3-5,12H,2,6-7H2,1H3
InChIKeyUIVZBYYPHKUOCM-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.70
Rot. Bonds1

About 5-bromo-4-ethyl-2,3-dihydro-1H-quinoxaline

5-bromo-4-ethyl-2,3-dihydro-1H-quinoxaline (PubChem CID 115094968) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 5-bromo-4-ethyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name5-bromo-4-ethyl-2,3-dihydro-1H-quinoxaline
PubChem CID115094968
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name5-bromo-4-ethyl-2,3-dihydro-1H-quinoxaline
SMILESCCN1CCNc2cccc(Br)c21
InChIInChI=1S/C10H13BrN2/c1-2-13-7-6-12-9-5-3-4-8(11)10(9)13/h3-5,12H,2,6-7H2,1H3
InChIKeyUIVZBYYPHKUOCM-UHFFFAOYSA-N
XLogP2.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2,3-dihydro-1H-quinoxaline
CID 3056887
5-bromo-4-ethyl-1,3-dihydroquinoxalin-2-one
CID 115095436
4-(2-bromophenyl)-2,3-dihydro-1H-quinoxaline
CID 117006767
2-methyl-1-[8-(trifluoromethyl)-3,4-dihydro-2H-quinoxalin-1-yl]propan-2-ol
CID 117235999
1-(8-methoxy-3,4-dihydro-2H-quinoxalin-1-yl)-2-methylpropan-2-ol
CID 117236017
4-ethyl-6,7-dimethyl-2,3-dihydro-1H-quinoxaline
CID 82156538
(10S)-10-ethyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
CID 124674655
7-bromo-2,3-dihydrobenzimidazole-1-carbonitrile
CID 118338121
1-(6-ethyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethanone
CID 84623033
1-(8-fluoro-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
CID 82401372
(1-ethyl-3,4-dihydro-2H-quinoxalin-5-yl)methanol
CID 115095768
(10S)-10-propyl-1,4,11-triazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
CID 124674668

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-ethyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 5-bromo-4-ethyl-2,3-dihydro-1H-quinoxaline (CID 115094968) is 5-bromo-4-ethyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 5-bromo-4-ethyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 5-bromo-4-ethyl-2,3-dihydro-1H-quinoxaline is CCN1CCNc2cccc(Br)c21.
What is the InChIKey of 5-bromo-4-ethyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is UIVZBYYPHKUOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c1-2-13-7-6-12-9-5-3-4-8(11)10(9)13/h3-5,12H,2,6-7H2,1H3.
What are the key properties of 5-bromo-4-ethyl-2,3-dihydro-1H-quinoxaline?
5-bromo-4-ethyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 241.13 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-ethyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 115094968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).