2-(1-chloropentan-2-yl)quinoxaline

C13H15ClN2 — CID 174360163

IUPAC2-(1-chloropentan-2-yl)quinoxaline
SMILESCCCC(CCl)c1cnc2ccccc2n1
InChIInChI=1S/C13H15ClN2/c1-2-5-10(8-14)13-9-15-11-6-3-4-7-12(11)16-13/h3-4,6-7,9-10H,2,5,8H2,1H3
InChIKeyJVDHTFINDKYSGT-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.75
Rot. Bonds4

About 2-(1-chloropentan-2-yl)quinoxaline

2-(1-chloropentan-2-yl)quinoxaline (PubChem CID 174360163) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-(1-chloropentan-2-yl)quinoxaline.

Molecular Properties

Compound Name2-(1-chloropentan-2-yl)quinoxaline
PubChem CID174360163
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name2-(1-chloropentan-2-yl)quinoxaline
SMILESCCCC(CCl)c1cnc2ccccc2n1
InChIInChI=1S/C13H15ClN2/c1-2-5-10(8-14)13-9-15-11-6-3-4-7-12(11)16-13/h3-4,6-7,9-10H,2,5,8H2,1H3
InChIKeyJVDHTFINDKYSGT-UHFFFAOYSA-N
XLogP3.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.75
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,2-dimethyl-1-quinoxalin-2-ylpentan-1-amine
CID 107894235
1-quinoxalin-2-ylhexan-1-amine
CID 107357026
1-chloropentan-2-ylbenzene
CID 524326
2-(2-bromopentyl)quinoxaline
CID 63203319
3-methyl-N-propyl-1-quinoxalin-2-ylbut-3-en-1-amine
CID 107357266
N-[pyrimidin-5-yl(quinoxalin-2-yl)methyl]propan-1-amine
CID 107356998
(4-methyl-1-quinoxalin-2-ylpentyl)hydrazine
CID 107357839
triethyl(quinoxalin-2-yl)silane
CID 170459365
(3-ethyl-1-quinoxalin-2-ylheptyl)hydrazine
CID 107357824
(1R,2R)-1-quinoxalin-2-ylpropane-1,2,3-triol
CID 102524344
N-ethyl-1-quinoxalin-2-ylpentan-2-amine
CID 63198268
1-quinoxalin-2-yl-4-sulfanylbutane-1,2-diol
CID 171874293

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloropentan-2-yl)quinoxaline?
The IUPAC name of 2-(1-chloropentan-2-yl)quinoxaline (CID 174360163) is 2-(1-chloropentan-2-yl)quinoxaline.
What is the SMILES notation for 2-(1-chloropentan-2-yl)quinoxaline?
The canonical SMILES for 2-(1-chloropentan-2-yl)quinoxaline is CCCC(CCl)c1cnc2ccccc2n1.
What is the InChIKey of 2-(1-chloropentan-2-yl)quinoxaline?
The InChIKey is JVDHTFINDKYSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-2-5-10(8-14)13-9-15-11-6-3-4-7-12(11)16-13/h3-4,6-7,9-10H,2,5,8H2,1H3.
What are the key properties of 2-(1-chloropentan-2-yl)quinoxaline?
2-(1-chloropentan-2-yl)quinoxaline has a molecular weight of 234.73 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloropentan-2-yl)quinoxaline is sourced from PubChem (CID 174360163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).