8-(3-octylquinoxalin-2-yl)octanoic acid

C24H36N2O2 — CID 53321942

IUPAC8-(3-octylquinoxalin-2-yl)octanoic acid
SMILESCCCCCCCCc1nc2ccccc2nc1CCCCCCCC(=O)O
InChIInChI=1S/C24H36N2O2/c1-2-3-4-5-7-10-15-20-21(16-11-8-6-9-12-19-24(27)28)26-23-18-14-13-17-22(23)25-20/h13-14,17-18H,2-12,15-16,19H2,1H3,(H,27,28)
InChIKeyUZDAHDGHLPITPH-UHFFFAOYSA-N
MW384.56 g/mol
LogP6.50
Rot. Bonds15

About 8-(3-octylquinoxalin-2-yl)octanoic acid

8-(3-octylquinoxalin-2-yl)octanoic acid (PubChem CID 53321942) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 8-(3-octylquinoxalin-2-yl)octanoic acid.

Molecular Properties

Compound Name8-(3-octylquinoxalin-2-yl)octanoic acid
PubChem CID53321942
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name8-(3-octylquinoxalin-2-yl)octanoic acid
SMILESCCCCCCCCc1nc2ccccc2nc1CCCCCCCC(=O)O
InChIInChI=1S/C24H36N2O2/c1-2-3-4-5-7-10-15-20-21(16-11-8-6-9-12-19-24(27)28)26-23-18-14-13-17-22(23)25-20/h13-14,17-18H,2-12,15-16,19H2,1H3,(H,27,28)
InChIKeyUZDAHDGHLPITPH-UHFFFAOYSA-N
XLogP6.50
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 56.50
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 8-(3-octylquinoxalin-2-yl)octanoic acid?
The IUPAC name of 8-(3-octylquinoxalin-2-yl)octanoic acid (CID 53321942) is 8-(3-octylquinoxalin-2-yl)octanoic acid.
What is the SMILES notation for 8-(3-octylquinoxalin-2-yl)octanoic acid?
The canonical SMILES for 8-(3-octylquinoxalin-2-yl)octanoic acid is CCCCCCCCc1nc2ccccc2nc1CCCCCCCC(=O)O.
What is the InChIKey of 8-(3-octylquinoxalin-2-yl)octanoic acid?
The InChIKey is UZDAHDGHLPITPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-2-3-4-5-7-10-15-20-21(16-11-8-6-9-12-19-24(27)28)26-23-18-14-13-17-22(23)25-20/h13-14,17-18H,2-12,15-16,19H2,1H3,(H,27,28).
What are the key properties of 8-(3-octylquinoxalin-2-yl)octanoic acid?
8-(3-octylquinoxalin-2-yl)octanoic acid has a molecular weight of 384.56 g/mol, XLogP of 6.50, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-octylquinoxalin-2-yl)octanoic acid is sourced from PubChem (CID 53321942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).