8-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline

C11H15BrN2 — CID 115095571

IUPAC8-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCCN1c2cccc(Br)c2NCC1C
InChIInChI=1S/C11H15BrN2/c1-3-14-8(2)7-13-11-9(12)5-4-6-10(11)14/h4-6,8,13H,3,7H2,1-2H3
InChIKeyPDKBRQBGGFHUAY-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.09
Rot. Bonds1

About 8-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline

8-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline (PubChem CID 115095571) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 8-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name8-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline
PubChem CID115095571
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name8-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCCN1c2cccc(Br)c2NCC1C
InChIInChI=1S/C11H15BrN2/c1-3-14-8(2)7-13-11-9(12)5-4-6-10(11)14/h4-6,8,13H,3,7H2,1-2H3
InChIKeyPDKBRQBGGFHUAY-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

(1-ethyl-2-methyl-3,4-dihydro-2H-quinoxalin-5-yl)methanol
CID 115096618
methyl 1-ethyl-2-methyl-3,4-dihydro-2H-quinoxaline-5-carboxylate
CID 115096624
7-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115095634
5-bromo-1-ethyl-3,4-dihydroquinoxalin-2-one
CID 84635526
4-bromo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline
CID 84640424
6-bromo-3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 115098315
8-bromo-4-methyl-2,3-dihydro-1H-quinoxaline
CID 83839922
(4-ethyl-3-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanamine
CID 115096491
7-bromo-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986374
CID 140807044
CID 140807044
4-[(3-bromo-4-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318441
1-(4-bromo-1-ethyl-2,3-dihydroindol-2-yl)ethanol
CID 117198761

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 8-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline (CID 115095571) is 8-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 8-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 8-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline is CCN1c2cccc(Br)c2NCC1C.
What is the InChIKey of 8-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is PDKBRQBGGFHUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-3-14-8(2)7-13-11-9(12)5-4-6-10(11)14/h4-6,8,13H,3,7H2,1-2H3.
What are the key properties of 8-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline?
8-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 255.16 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-ethyl-3-methyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 115095571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).