2-tetradecylquinoxaline

C22H34N2 — CID 21024312

IUPAC2-tetradecylquinoxaline
SMILESCCCCCCCCCCCCCCc1cnc2ccccc2n1
InChIInChI=1S/C22H34N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23-21-17-14-15-18-22(21)24-20/h14-15,17-19H,2-13,16H2,1H3
InChIKeyPATYJSPCBHCQGQ-UHFFFAOYSA-N
MW326.53 g/mol
LogP6.87
Rot. Bonds13

About 2-tetradecylquinoxaline

2-tetradecylquinoxaline (PubChem CID 21024312) has the molecular formula C22H34N2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 2-tetradecylquinoxaline.

Molecular Properties

Compound Name2-tetradecylquinoxaline
PubChem CID21024312
Molecular FormulaC22H34N2
Molecular Weight326.53 g/mol
Exact Mass326.27
IUPAC Name2-tetradecylquinoxaline
SMILESCCCCCCCCCCCCCCc1cnc2ccccc2n1
InChIInChI=1S/C22H34N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23-21-17-14-15-18-22(21)24-20/h14-15,17-19H,2-13,16H2,1H3
InChIKeyPATYJSPCBHCQGQ-UHFFFAOYSA-N
XLogP6.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.53
LogP ≤ 56.87
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-octylquinoxaline
CID 141276580
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-tetradecylquinoxaline?
The IUPAC name of 2-tetradecylquinoxaline (CID 21024312) is 2-tetradecylquinoxaline.
What is the SMILES notation for 2-tetradecylquinoxaline?
The canonical SMILES for 2-tetradecylquinoxaline is CCCCCCCCCCCCCCc1cnc2ccccc2n1.
What is the InChIKey of 2-tetradecylquinoxaline?
The InChIKey is PATYJSPCBHCQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23-21-17-14-15-18-22(21)24-20/h14-15,17-19H,2-13,16H2,1H3.
What are the key properties of 2-tetradecylquinoxaline?
2-tetradecylquinoxaline has a molecular weight of 326.53 g/mol, XLogP of 6.87, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetradecylquinoxaline is sourced from PubChem (CID 21024312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).