2-(1-benzofuran-2-yl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide

C27H25N3O4 — CID 53383147

IUPAC2-(1-benzofuran-2-yl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide
SMILESCCCCCNC(=O)C(c1cc2ccccc2o1)n1c(=O)c(-c2ccco2)nc2ccccc21
InChIInChI=1S/C27H25N3O4/c1-2-3-8-15-28-26(31)25(23-17-18-10-4-7-13-21(18)34-23)30-20-12-6-5-11-19(20)29-24(27(30)32)22-14-9-16-33-22/h4-7,9-14,16-17,25H,2-3,8,15H2,1H3,(H,28,31)
InChIKeyZIKHGWGHETUMGV-UHFFFAOYSA-N
MW455.51 g/mol
LogP5.30
Rot. Bonds8

About 2-(1-benzofuran-2-yl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide

2-(1-benzofuran-2-yl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide (PubChem CID 53383147) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide
PubChem CID53383147
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC Name2-(1-benzofuran-2-yl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide
SMILESCCCCCNC(=O)C(c1cc2ccccc2o1)n1c(=O)c(-c2ccco2)nc2ccccc21
InChIInChI=1S/C27H25N3O4/c1-2-3-8-15-28-26(31)25(23-17-18-10-4-7-13-21(18)34-23)30-20-12-6-5-11-19(20)29-24(27(30)32)22-14-9-16-33-22/h4-7,9-14,16-17,25H,2-3,8,15H2,1H3,(H,28,31)
InChIKeyZIKHGWGHETUMGV-UHFFFAOYSA-N
XLogP5.30
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.51
LogP ≤ 55.30
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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Related Compounds

N-benzyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 53383163
2-(1-benzofuran-2-yl)-N-tert-butyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide
CID 53383405
2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentyl-4-phenylbutanamide
CID 53383103
2-cyclopropyl-2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentylacetamide
CID 53383108
2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)-2-quinolin-4-ylacetamide
CID 53383349
N-cyclohexyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-quinolin-4-ylacetamide
CID 53383330
2-cyclopropyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide
CID 53383365
2-(furan-2-yl)-1-hexylbenzimidazole
CID 17000135
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-oxochromene-3-carboxamide
CID 46514997
N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 4192336
N-[3-(1-nonylbenzimidazol-2-yl)propyl]furan-2-carboxamide
CID 16981934
10-hexyl-3-methylbenzo[g]pteridine-2,4-dione
CID 14430190

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide?
The IUPAC name of 2-(1-benzofuran-2-yl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide (CID 53383147) is 2-(1-benzofuran-2-yl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide?
The canonical SMILES for 2-(1-benzofuran-2-yl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide is CCCCCNC(=O)C(c1cc2ccccc2o1)n1c(=O)c(-c2ccco2)nc2ccccc21.
What is the InChIKey of 2-(1-benzofuran-2-yl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide?
The InChIKey is ZIKHGWGHETUMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c1-2-3-8-15-28-26(31)25(23-17-18-10-4-7-13-21(18)34-23)30-20-12-6-5-11-19(20)29-24(27(30)32)22-14-9-16-33-22/h4-7,9-14,16-17,25H,2-3,8,15H2,1H3,(H,28,31).
What are the key properties of 2-(1-benzofuran-2-yl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide?
2-(1-benzofuran-2-yl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide has a molecular weight of 455.51 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-pentylacetamide is sourced from PubChem (CID 53383147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).