2-octylquinoxaline

C16H22N2 — CID 141276580

IUPAC2-octylquinoxaline
SMILESCCCCCCCCc1cnc2ccccc2n1
InChIInChI=1S/C16H22N2/c1-2-3-4-5-6-7-10-14-13-17-15-11-8-9-12-16(15)18-14/h8-9,11-13H,2-7,10H2,1H3
InChIKeyXKZBKXGRAUOHLR-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.53
Rot. Bonds7

About 2-octylquinoxaline

2-octylquinoxaline (PubChem CID 141276580) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-octylquinoxaline.

Molecular Properties

Compound Name2-octylquinoxaline
PubChem CID141276580
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-octylquinoxaline
SMILESCCCCCCCCc1cnc2ccccc2n1
InChIInChI=1S/C16H22N2/c1-2-3-4-5-6-7-10-14-13-17-15-11-8-9-12-16(15)18-14/h8-9,11-13H,2-7,10H2,1H3
InChIKeyXKZBKXGRAUOHLR-UHFFFAOYSA-N
XLogP4.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tetradecylquinoxaline
CID 21024312
3-butylbenzo[g]quinoxaline
CID 156775499
6,7-dichloro-2-hexylquinoxaline
CID 156775502
6,7-dibromo-2-hexylquinoxaline
CID 156775501
2-hexyl-4-methylquinoline
CID 504074
2-hexadecoxyquinoxaline
CID 175436911
6-nitro-2-octylquinoxaline
CID 139992057
2,3-dimethyl-5-undecylpyrazine
CID 57349452
2-nonylquinolin-4-olate
CID 162840210
4-ethyl-2-hexylquinoline
CID 143260250
2,6-didodecylpyridine
CID 90943274
N-(quinoxalin-2-ylmethyl)hexan-2-amine
CID 55050397

Frequently Asked Questions

What is the IUPAC name of 2-octylquinoxaline?
The IUPAC name of 2-octylquinoxaline (CID 141276580) is 2-octylquinoxaline.
What is the SMILES notation for 2-octylquinoxaline?
The canonical SMILES for 2-octylquinoxaline is CCCCCCCCc1cnc2ccccc2n1.
What is the InChIKey of 2-octylquinoxaline?
The InChIKey is XKZBKXGRAUOHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-3-4-5-6-7-10-14-13-17-15-11-8-9-12-16(15)18-14/h8-9,11-13H,2-7,10H2,1H3.
What are the key properties of 2-octylquinoxaline?
2-octylquinoxaline has a molecular weight of 242.37 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octylquinoxaline is sourced from PubChem (CID 141276580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).