N-(3,4-dimethylphenyl)-2-[(2R)-1-(4-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide

C26H25N3O4 — CID 34311037

IUPACN-(3,4-dimethylphenyl)-2-[(2R)-1-(4-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCOc1ccc(C(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C26H25N3O4/c1-16-8-11-19(14-17(16)2)27-24(30)15-23-25(31)28-21-6-4-5-7-22(21)29(23)26(32)18-9-12-20(33-3)13-10-18/h4-14,23H,15H2,1-3H3,(H,27,30)(H,28,31)/t23-/m1/s1
InChIKeyRIJCAZQCDWSUTM-HSZRJFAPSA-N
MW443.50 g/mol
LogP4.31
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[(2R)-1-(4-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide

N-(3,4-dimethylphenyl)-2-[(2R)-1-(4-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (PubChem CID 34311037) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[(2R)-1-(4-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[(2R)-1-(4-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
PubChem CID34311037
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC NameN-(3,4-dimethylphenyl)-2-[(2R)-1-(4-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCOc1ccc(C(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C26H25N3O4/c1-16-8-11-19(14-17(16)2)27-24(30)15-23-25(31)28-21-6-4-5-7-22(21)29(23)26(32)18-9-12-20(33-3)13-10-18/h4-14,23H,15H2,1-3H3,(H,27,30)(H,28,31)/t23-/m1/s1
InChIKeyRIJCAZQCDWSUTM-HSZRJFAPSA-N
XLogP4.31
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-1-(3,4-dimethoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 34310201
N-(3,4-dimethylphenyl)-2-[3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide
CID 3685053
N-(3,4-dichlorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34115383
N-(4-methoxyphenyl)-2-[(2S)-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34307419
N-(4-methylphenyl)-2-[(2R)-3-oxo-1-(4-propoxybenzoyl)-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34311344
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-(4-fluorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1285370
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
N-(3,4-dimethylphenyl)-2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enoyl]-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34310544
N-(3,4-dimethylphenyl)-2-[(2S)-3-oxo-1-[(E)-3-phenylprop-2-enoyl]-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34310538

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[(2R)-1-(4-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[(2R)-1-(4-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (CID 34311037) is N-(3,4-dimethylphenyl)-2-[(2R)-1-(4-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[(2R)-1-(4-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[(2R)-1-(4-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is COc1ccc(C(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[(2R)-1-(4-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The InChIKey is RIJCAZQCDWSUTM-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-16-8-11-19(14-17(16)2)27-24(30)15-23-25(31)28-21-6-4-5-7-22(21)29(23)26(32)18-9-12-20(33-3)13-10-18/h4-14,23H,15H2,1-3H3,(H,27,30)(H,28,31)/t23-/m1/s1.
What are the key properties of N-(3,4-dimethylphenyl)-2-[(2R)-1-(4-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
N-(3,4-dimethylphenyl)-2-[(2R)-1-(4-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide has a molecular weight of 443.50 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[(2R)-1-(4-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is sourced from PubChem (CID 34311037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).