1-quinoxalin-2-yldecan-1-ol

C18H26N2O — CID 107357578

IUPAC1-quinoxalin-2-yldecan-1-ol
SMILESCCCCCCCCCC(O)c1cnc2ccccc2n1
InChIInChI=1S/C18H26N2O/c1-2-3-4-5-6-7-8-13-18(21)17-14-19-15-11-9-10-12-16(15)20-17/h9-12,14,18,21H,2-8,13H2,1H3
InChIKeyFLLLNCNYGSMMSL-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.80
Rot. Bonds9

About 1-quinoxalin-2-yldecan-1-ol

1-quinoxalin-2-yldecan-1-ol (PubChem CID 107357578) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-quinoxalin-2-yldecan-1-ol.

Molecular Properties

Compound Name1-quinoxalin-2-yldecan-1-ol
PubChem CID107357578
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-quinoxalin-2-yldecan-1-ol
SMILESCCCCCCCCCC(O)c1cnc2ccccc2n1
InChIInChI=1S/C18H26N2O/c1-2-3-4-5-6-7-8-13-18(21)17-14-19-15-11-9-10-12-16(15)20-17/h9-12,14,18,21H,2-8,13H2,1H3
InChIKeyFLLLNCNYGSMMSL-UHFFFAOYSA-N
XLogP4.80
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-quinoxalin-2-yldecan-1-ol?
The IUPAC name of 1-quinoxalin-2-yldecan-1-ol (CID 107357578) is 1-quinoxalin-2-yldecan-1-ol.
What is the SMILES notation for 1-quinoxalin-2-yldecan-1-ol?
The canonical SMILES for 1-quinoxalin-2-yldecan-1-ol is CCCCCCCCCC(O)c1cnc2ccccc2n1.
What is the InChIKey of 1-quinoxalin-2-yldecan-1-ol?
The InChIKey is FLLLNCNYGSMMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-3-4-5-6-7-8-13-18(21)17-14-19-15-11-9-10-12-16(15)20-17/h9-12,14,18,21H,2-8,13H2,1H3.
What are the key properties of 1-quinoxalin-2-yldecan-1-ol?
1-quinoxalin-2-yldecan-1-ol has a molecular weight of 286.42 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinoxalin-2-yldecan-1-ol is sourced from PubChem (CID 107357578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).