2-hexadecoxyquinoxaline

C24H38N2O — CID 175436911

IUPAC2-hexadecoxyquinoxaline
SMILESCCCCCCCCCCCCCCCCOc1cnc2ccccc2n1
InChIInChI=1S/C24H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-27-24-21-25-22-18-15-16-19-23(22)26-24/h15-16,18-19,21H,2-14,17,20H2,1H3
InChIKeyUKGRLAZNEXYNTJ-UHFFFAOYSA-N
MW370.58 g/mol
LogP7.49
Rot. Bonds16

About 2-hexadecoxyquinoxaline

2-hexadecoxyquinoxaline (PubChem CID 175436911) has the molecular formula C24H38N2O and a molecular weight of 370.58 g/mol. Its IUPAC name is 2-hexadecoxyquinoxaline.

Molecular Properties

Compound Name2-hexadecoxyquinoxaline
PubChem CID175436911
Molecular FormulaC24H38N2O
Molecular Weight370.58 g/mol
Exact Mass370.30
IUPAC Name2-hexadecoxyquinoxaline
SMILESCCCCCCCCCCCCCCCCOc1cnc2ccccc2n1
InChIInChI=1S/C24H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-27-24-21-25-22-18-15-16-19-23(22)26-24/h15-16,18-19,21H,2-14,17,20H2,1H3
InChIKeyUKGRLAZNEXYNTJ-UHFFFAOYSA-N
XLogP7.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-quinoxalin-2-yloxyethyl)propan-1-amine
CID 55063856
2,3-didodecoxyquinoxaline
CID 139934452
3-dodecoxythieno[3,4-b]pyrazine
CID 139758024
2-octylquinoxaline
CID 141276580
2-tetradecylquinoxaline
CID 21024312
3-nonoxy-8-octoxy-4,7-phenanthroline
CID 21267382
3-decoxy-8-undecoxy-4,7-phenanthroline
CID 21267174
2-pentoxyquinoline;1H-quinazolin-2-one
CID 174765854
2-octoxyquinoline-4-carbonitrile
CID 63885669
N-[(2-hexoxyquinolin-4-yl)methyl]ethanamine
CID 63489674
(6-pentoxy-2-pyridinyl)methanamine
CID 62292615
2-pentoxyquinoline-4-carbonyl chloride
CID 10423651

Frequently Asked Questions

What is the IUPAC name of 2-hexadecoxyquinoxaline?
The IUPAC name of 2-hexadecoxyquinoxaline (CID 175436911) is 2-hexadecoxyquinoxaline.
What is the SMILES notation for 2-hexadecoxyquinoxaline?
The canonical SMILES for 2-hexadecoxyquinoxaline is CCCCCCCCCCCCCCCCOc1cnc2ccccc2n1.
What is the InChIKey of 2-hexadecoxyquinoxaline?
The InChIKey is UKGRLAZNEXYNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-27-24-21-25-22-18-15-16-19-23(22)26-24/h15-16,18-19,21H,2-14,17,20H2,1H3.
What are the key properties of 2-hexadecoxyquinoxaline?
2-hexadecoxyquinoxaline has a molecular weight of 370.58 g/mol, XLogP of 7.49, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecoxyquinoxaline is sourced from PubChem (CID 175436911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).