2-(2-bromopentyl)quinoxaline

C13H15BrN2 — CID 63203319

IUPAC2-(2-bromopentyl)quinoxaline
SMILESCCCC(Br)Cc1cnc2ccccc2n1
InChIInChI=1S/C13H15BrN2/c1-2-5-10(14)8-11-9-15-12-6-3-4-7-13(12)16-11/h3-4,6-7,9-10H,2,5,8H2,1H3
InChIKeyUXIBZODXVGPNNM-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.74
Rot. Bonds4

About 2-(2-bromopentyl)quinoxaline

2-(2-bromopentyl)quinoxaline (PubChem CID 63203319) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 2-(2-bromopentyl)quinoxaline.

Molecular Properties

Compound Name2-(2-bromopentyl)quinoxaline
PubChem CID63203319
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name2-(2-bromopentyl)quinoxaline
SMILESCCCC(Br)Cc1cnc2ccccc2n1
InChIInChI=1S/C13H15BrN2/c1-2-5-10(14)8-11-9-15-12-6-3-4-7-13(12)16-11/h3-4,6-7,9-10H,2,5,8H2,1H3
InChIKeyUXIBZODXVGPNNM-UHFFFAOYSA-N
XLogP3.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-quinoxalin-2-ylpentan-2-amine
CID 63198268
N-propyl-1-quinoxalin-2-ylpentan-2-amine
CID 63198228
1-quinoxalin-2-ylpropan-2-ol
CID 63201625
N-ethyl-3-methyl-1-quinoxalin-2-ylbutan-2-amine
CID 63201806
2-octylquinoxaline
CID 141276580
2-tetradecylquinoxaline
CID 21024312
(2S,3R,4S)-1-quinoxalin-2-ylpentane-2,3,4-triol
CID 170858118
(2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid
CID 124512095
1-cyclopropyl-2-quinoxalin-2-ylethanamine
CID 63352950
N-ethyl-1-phenyl-2-quinoxalin-2-ylethanamine
CID 63200105
N-(quinoxalin-2-ylmethyl)hexan-2-amine
CID 55050397
2-(1-chloropentan-2-yl)quinoxaline
CID 174360163

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromopentyl)quinoxaline?
The IUPAC name of 2-(2-bromopentyl)quinoxaline (CID 63203319) is 2-(2-bromopentyl)quinoxaline.
What is the SMILES notation for 2-(2-bromopentyl)quinoxaline?
The canonical SMILES for 2-(2-bromopentyl)quinoxaline is CCCC(Br)Cc1cnc2ccccc2n1.
What is the InChIKey of 2-(2-bromopentyl)quinoxaline?
The InChIKey is UXIBZODXVGPNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-2-5-10(14)8-11-9-15-12-6-3-4-7-13(12)16-11/h3-4,6-7,9-10H,2,5,8H2,1H3.
What are the key properties of 2-(2-bromopentyl)quinoxaline?
2-(2-bromopentyl)quinoxaline has a molecular weight of 279.18 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromopentyl)quinoxaline is sourced from PubChem (CID 63203319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).