N-(4-ethoxyphenyl)-2-[1-[2-(4-fluorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide

C26H24FN3O5 — CID 23797425

IUPACN-(4-ethoxyphenyl)-2-[1-[2-(4-fluorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)Nc3ccccc3N2C(=O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C26H24FN3O5/c1-2-34-19-13-9-18(10-14-19)28-24(31)15-23-26(33)29-21-5-3-4-6-22(21)30(23)25(32)16-35-20-11-7-17(27)8-12-20/h3-14,23H,2,15-16H2,1H3,(H,28,31)(H,29,33)
InChIKeyVMNRLSVELSRNTF-UHFFFAOYSA-N
MW477.49 g/mol
LogP3.99
Rot. Bonds8

About N-(4-ethoxyphenyl)-2-[1-[2-(4-fluorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide

N-(4-ethoxyphenyl)-2-[1-[2-(4-fluorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (PubChem CID 23797425) has the molecular formula C26H24FN3O5 and a molecular weight of 477.49 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[1-[2-(4-fluorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[1-[2-(4-fluorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
PubChem CID23797425
Molecular FormulaC26H24FN3O5
Molecular Weight477.49 g/mol
Exact Mass477.17
IUPAC NameN-(4-ethoxyphenyl)-2-[1-[2-(4-fluorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCCOc1ccc(NC(=O)CC2C(=O)Nc3ccccc3N2C(=O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C26H24FN3O5/c1-2-34-19-13-9-18(10-14-19)28-24(31)15-23-26(33)29-21-5-3-4-6-22(21)30(23)25(32)16-35-20-11-7-17(27)8-12-20/h3-14,23H,2,15-16H2,1H3,(H,28,31)(H,29,33)
InChIKeyVMNRLSVELSRNTF-UHFFFAOYSA-N
XLogP3.99
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-2-[1-[2-(4-fluorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 23958803
2-[1-[2-(4-methoxyphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 23793651
N-(4-methoxyphenyl)-2-[1-[2-(4-methylphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 23764661
2-[(2S)-1-[2-(2,4-dichlorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-fluorophenyl)acetamide
CID 34310081
N-(4-chlorophenyl)-2-[(2R)-1-[2-(2-methoxyphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34308001
N-(4-ethoxyphenyl)-2-[1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 2951013
N-(4-ethoxyphenyl)-2-[(2S)-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1289143
N-(4-fluorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1285370
N-(4-methylphenyl)-2-[(2R)-3-oxo-1-(4-propoxybenzoyl)-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34311344
2-[(2S)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
CID 35043810
N-(4-fluorophenyl)-2-[3-oxo-1-[(E)-3-phenylprop-2-enoyl]-2,4-dihydroquinoxalin-2-yl]acetamide
CID 44615368
N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1095970

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[1-[2-(4-fluorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[1-[2-(4-fluorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (CID 23797425) is N-(4-ethoxyphenyl)-2-[1-[2-(4-fluorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[1-[2-(4-fluorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[1-[2-(4-fluorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is CCOc1ccc(NC(=O)CC2C(=O)Nc3ccccc3N2C(=O)COc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[1-[2-(4-fluorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The InChIKey is VMNRLSVELSRNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O5/c1-2-34-19-13-9-18(10-14-19)28-24(31)15-23-26(33)29-21-5-3-4-6-22(21)30(23)25(32)16-35-20-11-7-17(27)8-12-20/h3-14,23H,2,15-16H2,1H3,(H,28,31)(H,29,33).
What are the key properties of N-(4-ethoxyphenyl)-2-[1-[2-(4-fluorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
N-(4-ethoxyphenyl)-2-[1-[2-(4-fluorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide has a molecular weight of 477.49 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[1-[2-(4-fluorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is sourced from PubChem (CID 23797425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).