2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentyl-2-pyridin-4-ylacetamide

C24H24N4O3 — CID 53383150

IUPAC2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentyl-2-pyridin-4-ylacetamide
SMILESCCCCCNC(=O)C(c1ccncc1)n1c(=O)c(-c2ccco2)nc2ccccc21
InChIInChI=1S/C24H24N4O3/c1-2-3-6-13-26-23(29)22(17-11-14-25-15-12-17)28-19-9-5-4-8-18(19)27-21(24(28)30)20-10-7-16-31-20/h4-5,7-12,14-16,22H,2-3,6,13H2,1H3,(H,26,29)
InChIKeyZQXLMXRFMLUOGX-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.95
Rot. Bonds8

About 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentyl-2-pyridin-4-ylacetamide

2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentyl-2-pyridin-4-ylacetamide (PubChem CID 53383150) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentyl-2-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentyl-2-pyridin-4-ylacetamide
PubChem CID53383150
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentyl-2-pyridin-4-ylacetamide
SMILESCCCCCNC(=O)C(c1ccncc1)n1c(=O)c(-c2ccco2)nc2ccccc21
InChIInChI=1S/C24H24N4O3/c1-2-3-6-13-26-23(29)22(17-11-14-25-15-12-17)28-19-9-5-4-8-18(19)27-21(24(28)30)20-10-7-16-31-20/h4-5,7-12,14-16,22H,2-3,6,13H2,1H3,(H,26,29)
InChIKeyZQXLMXRFMLUOGX-UHFFFAOYSA-N
XLogP3.95
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentyl-2-pyridin-4-ylacetamide?
The IUPAC name of 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentyl-2-pyridin-4-ylacetamide (CID 53383150) is 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentyl-2-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentyl-2-pyridin-4-ylacetamide?
The canonical SMILES for 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentyl-2-pyridin-4-ylacetamide is CCCCCNC(=O)C(c1ccncc1)n1c(=O)c(-c2ccco2)nc2ccccc21.
What is the InChIKey of 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentyl-2-pyridin-4-ylacetamide?
The InChIKey is ZQXLMXRFMLUOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-2-3-6-13-26-23(29)22(17-11-14-25-15-12-17)28-19-9-5-4-8-18(19)27-21(24(28)30)20-10-7-16-31-20/h4-5,7-12,14-16,22H,2-3,6,13H2,1H3,(H,26,29).
What are the key properties of 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentyl-2-pyridin-4-ylacetamide?
2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentyl-2-pyridin-4-ylacetamide has a molecular weight of 416.48 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentyl-2-pyridin-4-ylacetamide is sourced from PubChem (CID 53383150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).