N-benzyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

C28H20F3N3O3 — CID 53383163

IUPACN-benzyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(NCc1ccccc1)C(c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2ccco2)nc2ccccc21
InChIInChI=1S/C28H20F3N3O3/c29-28(30,31)20-14-12-19(13-15-20)25(26(35)32-17-18-7-2-1-3-8-18)34-22-10-5-4-9-21(22)33-24(27(34)36)23-11-6-16-37-23/h1-16,25H,17H2,(H,32,35)
InChIKeyORXWMFFTUQCKTP-UHFFFAOYSA-N
MW503.48 g/mol
LogP5.58
Rot. Bonds6

About N-benzyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-benzyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 53383163) has the molecular formula C28H20F3N3O3 and a molecular weight of 503.48 g/mol. Its IUPAC name is N-benzyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID53383163
Molecular FormulaC28H20F3N3O3
Molecular Weight503.48 g/mol
Exact Mass503.15
IUPAC NameN-benzyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(NCc1ccccc1)C(c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2ccco2)nc2ccccc21
InChIInChI=1S/C28H20F3N3O3/c29-28(30,31)20-14-12-19(13-15-20)25(26(35)32-17-18-7-2-1-3-8-18)34-22-10-5-4-9-21(22)33-24(27(34)36)23-11-6-16-37-23/h1-16,25H,17H2,(H,32,35)
InChIKeyORXWMFFTUQCKTP-UHFFFAOYSA-N
XLogP5.58
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.48
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-benzyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 53383163) is N-benzyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-benzyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-benzyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(NCc1ccccc1)C(c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2ccco2)nc2ccccc21.
What is the InChIKey of N-benzyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ORXWMFFTUQCKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F3N3O3/c29-28(30,31)20-14-12-19(13-15-20)25(26(35)32-17-18-7-2-1-3-8-18)34-22-10-5-4-9-21(22)33-24(27(34)36)23-11-6-16-37-23/h1-16,25H,17H2,(H,32,35).
What are the key properties of N-benzyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-benzyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 503.48 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 53383163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).