N-(3,4-dichlorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide

C24H19Cl2N3O3 — CID 34115383

IUPACN-(3,4-dichlorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCc1ccc(C(=O)N2c3ccccc3NC(=O)[C@@H]2CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C24H19Cl2N3O3/c1-14-6-8-15(9-7-14)24(32)29-20-5-3-2-4-19(20)28-23(31)21(29)13-22(30)27-16-10-11-17(25)18(26)12-16/h2-12,21H,13H2,1H3,(H,27,30)(H,28,31)/t21-/m0/s1
InChIKeyJXIQLRFOCSYHRF-NRFANRHFSA-N
MW468.34 g/mol
LogP5.30
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide

N-(3,4-dichlorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (PubChem CID 34115383) has the molecular formula C24H19Cl2N3O3 and a molecular weight of 468.34 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
PubChem CID34115383
Molecular FormulaC24H19Cl2N3O3
Molecular Weight468.34 g/mol
Exact Mass467.08
IUPAC NameN-(3,4-dichlorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCc1ccc(C(=O)N2c3ccccc3NC(=O)[C@@H]2CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C24H19Cl2N3O3/c1-14-6-8-15(9-7-14)24(32)29-20-5-3-2-4-19(20)28-23(31)21(29)13-22(30)27-16-10-11-17(25)18(26)12-16/h2-12,21H,13H2,1H3,(H,27,30)(H,28,31)/t21-/m0/s1
InChIKeyJXIQLRFOCSYHRF-NRFANRHFSA-N
XLogP5.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.34
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dichlorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide with MolForge

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Related Compounds

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
N-(4-methylphenyl)-2-[(2R)-3-oxo-1-(4-propoxybenzoyl)-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34311344
2-[(2R)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide
CID 34316362
2-[(2S)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
CID 35042843
N-(3,4-dimethylphenyl)-2-[(2R)-1-(4-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34311037
ethyl 4-[[2-[(2R)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetyl]amino]benzoate
CID 34316902
2-[(2S)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
CID 35043810
2-[(2S)-1-(3,4-dimethoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 34310201
2-[(2R)-1-(furan-2-carbonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 35042841
2-[1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide
CID 45128995

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (CID 34115383) is N-(3,4-dichlorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is Cc1ccc(C(=O)N2c3ccccc3NC(=O)[C@@H]2CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The InChIKey is JXIQLRFOCSYHRF-NRFANRHFSA-N. The full InChI is InChI=1S/C24H19Cl2N3O3/c1-14-6-8-15(9-7-14)24(32)29-20-5-3-2-4-19(20)28-23(31)21(29)13-22(30)27-16-10-11-17(25)18(26)12-16/h2-12,21H,13H2,1H3,(H,27,30)(H,28,31)/t21-/m0/s1.
What are the key properties of N-(3,4-dichlorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
N-(3,4-dichlorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide has a molecular weight of 468.34 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is sourced from PubChem (CID 34115383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).