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

C18H16N4O5 — CID 1288963

IUPAC2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(3-nitrophenyl)acetamide
SMILESCC(=O)N1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H16N4O5/c1-11(23)21-15-8-3-2-7-14(15)20-18(25)16(21)10-17(24)19-12-5-4-6-13(9-12)22(26)27/h2-9,16H,10H2,1H3,(H,19,24)(H,20,25)/t16-/m1/s1
InChIKeyZNRUGYGFNQGSIT-MRXNPFEDSA-N
MW368.35 g/mol
LogP2.30
Rot. Bonds4

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

2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(3-nitrophenyl)acetamide (PubChem CID 1288963) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is 2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(3-nitrophenyl)acetamide
PubChem CID1288963
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC Name2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(3-nitrophenyl)acetamide
SMILESCC(=O)N1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H16N4O5/c1-11(23)21-15-8-3-2-7-14(15)20-18(25)16(21)10-17(24)19-12-5-4-6-13(9-12)22(26)27/h2-9,16H,10H2,1H3,(H,19,24)(H,20,25)/t16-/m1/s1
InChIKeyZNRUGYGFNQGSIT-MRXNPFEDSA-N
XLogP2.30
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1095970
N-(4-methoxyphenyl)-2-[(2S)-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34307419
N-(4-ethoxyphenyl)-2-[(2S)-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1289143
N-(4-ethoxyphenyl)-2-[1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 2951013
ethyl 4-[[2-[(2R)-1-(3-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetyl]amino]benzoate
CID 34316380
N-(4-bromophenyl)-2-[(2R)-1-(4-nitrobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34307056
N-(3-nitrophenyl)-2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetamide
CID 2963474
N-(3-chlorophenyl)-2-[1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 44725119
N-(2-methoxy-4-nitrophenyl)-2-[(2R)-1-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 26888149
2-[(2S)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
CID 35043810
2-[(2R)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 34310983
N-(3,4-dimethylphenyl)-2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enoyl]-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34310544

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(3-nitrophenyl)acetamide (CID 1288963) is 2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(3-nitrophenyl)acetamide is CC(=O)N1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(3-nitrophenyl)acetamide?
The InChIKey is ZNRUGYGFNQGSIT-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-11(23)21-15-8-3-2-7-14(15)20-18(25)16(21)10-17(24)19-12-5-4-6-13(9-12)22(26)27/h2-9,16H,10H2,1H3,(H,19,24)(H,20,25)/t16-/m1/s1.
What are the key properties of 2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(3-nitrophenyl)acetamide?
2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(3-nitrophenyl)acetamide has a molecular weight of 368.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 1288963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).