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

C24H20ClN3O3 — CID 44725119

IUPACN-(3-chlorophenyl)-2-[1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCc1ccccc1C(=O)N1c2ccccc2NC(=O)C1CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C24H20ClN3O3/c1-15-7-2-3-10-18(15)24(31)28-20-12-5-4-11-19(20)27-23(30)21(28)14-22(29)26-17-9-6-8-16(25)13-17/h2-13,21H,14H2,1H3,(H,26,29)(H,27,30)
InChIKeyJGUWZADSVGQUBW-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.64
Rot. Bonds4

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

N-(3-chlorophenyl)-2-[1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (PubChem CID 44725119) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
PubChem CID44725119
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC NameN-(3-chlorophenyl)-2-[1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESCc1ccccc1C(=O)N1c2ccccc2NC(=O)C1CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C24H20ClN3O3/c1-15-7-2-3-10-18(15)24(31)28-20-12-5-4-11-19(20)27-23(30)21(28)14-22(29)26-17-9-6-8-16(25)13-17/h2-13,21H,14H2,1H3,(H,26,29)(H,27,30)
InChIKeyJGUWZADSVGQUBW-UHFFFAOYSA-N
XLogP4.64
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-[(2R)-1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34316442
N-(3-chlorophenyl)-2-[(2R)-3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34308891
N-(3-chlorophenyl)-2-[(2S)-3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34308885
N-(3-chlorophenyl)-2-[(2S)-1-(furan-2-carbonyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1285368
2-[(2S)-1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide
CID 34316346
2-[1-(2-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide
CID 45128995
2-[(2S)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
CID 35042843
N-(3,4-dichlorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34115383
2-[(2R)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-chlorophenyl)acetamide
CID 34316362
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-[3-oxo-1-(thiophene-2-carbonyl)-2,4-dihydroquinoxalin-2-yl]acetamide
CID 3685053

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide (CID 44725119) is N-(3-chlorophenyl)-2-[1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is Cc1ccccc1C(=O)N1c2ccccc2NC(=O)C1CC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
The InChIKey is JGUWZADSVGQUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-15-7-2-3-10-18(15)24(31)28-20-12-5-4-11-19(20)27-23(30)21(28)14-22(29)26-17-9-6-8-16(25)13-17/h2-13,21H,14H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-(3-chlorophenyl)-2-[1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide?
N-(3-chlorophenyl)-2-[1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide has a molecular weight of 433.90 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide is sourced from PubChem (CID 44725119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).