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

C23H17Cl2N3O3 — CID 34316346

IUPAC2-[(2S)-1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide
SMILESO=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccccc1Cl)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H17Cl2N3O3/c24-14-9-11-15(12-10-14)26-21(29)13-20-22(30)27-18-7-3-4-8-19(18)28(20)23(31)16-5-1-2-6-17(16)25/h1-12,20H,13H2,(H,26,29)(H,27,30)/t20-/m0/s1
InChIKeyZYDXBOKAUABQFP-FQEVSTJZSA-N
MW454.31 g/mol
LogP4.99
Rot. Bonds4

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

2-[(2S)-1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide (PubChem CID 34316346) has the molecular formula C23H17Cl2N3O3 and a molecular weight of 454.31 g/mol. Its IUPAC name is 2-[(2S)-1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide
PubChem CID34316346
Molecular FormulaC23H17Cl2N3O3
Molecular Weight454.31 g/mol
Exact Mass453.06
IUPAC Name2-[(2S)-1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide
SMILESO=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccccc1Cl)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H17Cl2N3O3/c24-14-9-11-15(12-10-14)26-21(29)13-20-22(30)27-18-7-3-4-8-19(18)28(20)23(31)16-5-1-2-6-17(16)25/h1-12,20H,13H2,(H,26,29)(H,27,30)/t20-/m0/s1
InChIKeyZYDXBOKAUABQFP-FQEVSTJZSA-N
XLogP4.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.31
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide
CID 45128995
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-(4-bromophenyl)-2-[(2R)-1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34316442
ethyl 4-[[2-[(2R)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetyl]amino]benzoate
CID 34316902
N-(3-chlorophenyl)-2-[1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 44725119
N-(4-bromophenyl)-2-[(2R)-1-(2-methoxybenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34316429
N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1095970
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-dichlorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34115383
N-(4-chlorophenyl)-2-[(2S)-1-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34317159

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[(2S)-1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide (CID 34316346) is 2-[(2S)-1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(2S)-1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[(2S)-1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide is O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccccc1Cl)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[(2S)-1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide?
The InChIKey is ZYDXBOKAUABQFP-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H17Cl2N3O3/c24-14-9-11-15(12-10-14)26-21(29)13-20-22(30)27-18-7-3-4-8-19(18)28(20)23(31)16-5-1-2-6-17(16)25/h1-12,20H,13H2,(H,26,29)(H,27,30)/t20-/m0/s1.
What are the key properties of 2-[(2S)-1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide?
2-[(2S)-1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide has a molecular weight of 454.31 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 34316346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).