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

C26H25N3O5 — CID 23764661

IUPACN-(4-methoxyphenyl)-2-[1-[2-(4-methylphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCOc1ccc(NC(=O)CC2C(=O)Nc3ccccc3N2C(=O)COc2ccc(C)cc2)cc1
InChIInChI=1S/C26H25N3O5/c1-17-7-11-20(12-8-17)34-16-25(31)29-22-6-4-3-5-21(22)28-26(32)23(29)15-24(30)27-18-9-13-19(33-2)14-10-18/h3-14,23H,15-16H2,1-2H3,(H,27,30)(H,28,32)
InChIKeyDBJPXOKGHHPBBA-UHFFFAOYSA-N
MW459.50 g/mol
LogP3.77
Rot. Bonds7

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

N-(4-methoxyphenyl)-2-[1-[2-(4-methylphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (PubChem CID 23764661) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[1-[2-(4-methylphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[1-[2-(4-methylphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
PubChem CID23764661
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC NameN-(4-methoxyphenyl)-2-[1-[2-(4-methylphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCOc1ccc(NC(=O)CC2C(=O)Nc3ccccc3N2C(=O)COc2ccc(C)cc2)cc1
InChIInChI=1S/C26H25N3O5/c1-17-7-11-20(12-8-17)34-16-25(31)29-22-6-4-3-5-21(22)28-26(32)23(29)15-24(30)27-18-9-13-19(33-2)14-10-18/h3-14,23H,15-16H2,1-2H3,(H,27,30)(H,28,32)
InChIKeyDBJPXOKGHHPBBA-UHFFFAOYSA-N
XLogP3.77
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(4-methoxyphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 23793651
N-(4-ethoxyphenyl)-2-[1-[2-(4-fluorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 23797425
N-(4-methylphenyl)-2-[(2R)-3-oxo-1-(4-propoxybenzoyl)-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34311344
N-(4-chlorophenyl)-2-[(2R)-1-[2-(2-methoxyphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34308001
2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 51551628
2-[(2R)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 51551629
N-(3,4-dimethylphenyl)-2-[(2R)-1-(4-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34311037
N-(2-ethoxyphenyl)-2-[1-[2-(4-fluorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 23958803
N-(4-fluorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1285370
N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1095970
2-[(2R)-1-(furan-2-carbonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 35042841
2-[(2S)-1-[2-(2,4-dichlorophenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-fluorophenyl)acetamide
CID 34310081

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[1-[2-(4-methylphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[1-[2-(4-methylphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (CID 23764661) is N-(4-methoxyphenyl)-2-[1-[2-(4-methylphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[1-[2-(4-methylphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[1-[2-(4-methylphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is COc1ccc(NC(=O)CC2C(=O)Nc3ccccc3N2C(=O)COc2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[1-[2-(4-methylphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The InChIKey is DBJPXOKGHHPBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5/c1-17-7-11-20(12-8-17)34-16-25(31)29-22-6-4-3-5-21(22)28-26(32)23(29)15-24(30)27-18-9-13-19(33-2)14-10-18/h3-14,23H,15-16H2,1-2H3,(H,27,30)(H,28,32).
What are the key properties of N-(4-methoxyphenyl)-2-[1-[2-(4-methylphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
N-(4-methoxyphenyl)-2-[1-[2-(4-methylphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide has a molecular weight of 459.50 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[1-[2-(4-methylphenoxy)acetyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is sourced from PubChem (CID 23764661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).