2-(1-benzofuran-2-yl)-N-tert-butyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide

C30H26N4O3 — CID 53383405

IUPAC2-(1-benzofuran-2-yl)-N-tert-butyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)C(c1cc2ccccc2o1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21
InChIInChI=1S/C30H26N4O3/c1-30(2,3)33-28(35)27(25-17-19-11-5-9-15-24(19)37-25)34-23-14-8-7-13-21(23)32-26(29(34)36)22-16-18-10-4-6-12-20(18)31-22/h4-17,27,31H,1-3H3,(H,33,35)
InChIKeyRWBSAWDERUSMDY-UHFFFAOYSA-N
MW490.56 g/mol
LogP5.80
Rot. Bonds4

About 2-(1-benzofuran-2-yl)-N-tert-butyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide

2-(1-benzofuran-2-yl)-N-tert-butyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide (PubChem CID 53383405) has the molecular formula C30H26N4O3 and a molecular weight of 490.56 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-N-tert-butyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-N-tert-butyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide
PubChem CID53383405
Molecular FormulaC30H26N4O3
Molecular Weight490.56 g/mol
Exact Mass490.20
IUPAC Name2-(1-benzofuran-2-yl)-N-tert-butyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)C(c1cc2ccccc2o1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21
InChIInChI=1S/C30H26N4O3/c1-30(2,3)33-28(35)27(25-17-19-11-5-9-15-24(19)37-25)34-23-14-8-7-13-21(23)32-26(29(34)36)22-16-18-10-4-6-12-20(18)31-22/h4-17,27,31H,1-3H3,(H,33,35)
InChIKeyRWBSAWDERUSMDY-UHFFFAOYSA-N
XLogP5.80
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.56
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-N-tert-butyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide?
The IUPAC name of 2-(1-benzofuran-2-yl)-N-tert-butyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide (CID 53383405) is 2-(1-benzofuran-2-yl)-N-tert-butyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-N-tert-butyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide?
The canonical SMILES for 2-(1-benzofuran-2-yl)-N-tert-butyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide is CC(C)(C)NC(=O)C(c1cc2ccccc2o1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21.
What is the InChIKey of 2-(1-benzofuran-2-yl)-N-tert-butyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide?
The InChIKey is RWBSAWDERUSMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O3/c1-30(2,3)33-28(35)27(25-17-19-11-5-9-15-24(19)37-25)34-23-14-8-7-13-21(23)32-26(29(34)36)22-16-18-10-4-6-12-20(18)31-22/h4-17,27,31H,1-3H3,(H,33,35).
What are the key properties of 2-(1-benzofuran-2-yl)-N-tert-butyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide?
2-(1-benzofuran-2-yl)-N-tert-butyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide has a molecular weight of 490.56 g/mol, XLogP of 5.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-N-tert-butyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]acetamide is sourced from PubChem (CID 53383405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).