N-(3-nitrophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide

C16H12N4O4 — CID 10314160

IUPACN-(3-nitrophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide
SMILESO=C(Cc1nc2ccccc2[nH]c1=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H12N4O4/c21-15(17-10-4-3-5-11(8-10)20(23)24)9-14-16(22)19-13-7-2-1-6-12(13)18-14/h1-8H,9H2,(H,17,21)(H,19,22)
InChIKeyDALXISZSRWVKPR-UHFFFAOYSA-N
MW324.30 g/mol
LogP2.01
Rot. Bonds4

About N-(3-nitrophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide

N-(3-nitrophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide (PubChem CID 10314160) has the molecular formula C16H12N4O4 and a molecular weight of 324.30 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide
PubChem CID10314160
Molecular FormulaC16H12N4O4
Molecular Weight324.30 g/mol
Exact Mass324.09
IUPAC NameN-(3-nitrophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide
SMILESO=C(Cc1nc2ccccc2[nH]c1=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H12N4O4/c21-15(17-10-4-3-5-11(8-10)20(23)24)9-14-16(22)19-13-7-2-1-6-12(13)18-14/h1-8H,9H2,(H,17,21)(H,19,22)
InChIKeyDALXISZSRWVKPR-UHFFFAOYSA-N
XLogP2.01
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 52.01
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

2-(3-oxo-4H-quinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3323158
3-[(E)-C-benzoyl-N-(3-nitroanilino)carbonimidoyl]-1H-quinoxalin-2-one
CID 135497109
3-(3-nitrophenyl)-1H-quinoxalin-2-one
CID 129286598
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
2-(4-amino-1,2,5-oxadiazol-3-yl)-N-(3-nitrophenyl)acetamide
CID 82358258
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
CID 708833
N-(3-nitrophenyl)-4-(2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18846904
2-(2-methyl-1,3-thiazol-4-yl)-N-(3-nitrophenyl)acetamide
CID 19242160
benzyl-dimethyl-[2-(3-nitroanilino)-2-oxoethyl]azanium bromide
CID 45371036
2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
CID 7183960
3-methyl-N-(3-nitrophenyl)butanamide
CID 4312967
2-(4-nitrophenyl)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 17359672

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide?
The IUPAC name of N-(3-nitrophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide (CID 10314160) is N-(3-nitrophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide.
What is the SMILES notation for N-(3-nitrophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide?
The canonical SMILES for N-(3-nitrophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide is O=C(Cc1nc2ccccc2[nH]c1=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitrophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide?
The InChIKey is DALXISZSRWVKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O4/c21-15(17-10-4-3-5-11(8-10)20(23)24)9-14-16(22)19-13-7-2-1-6-12(13)18-14/h1-8H,9H2,(H,17,21)(H,19,22).
What are the key properties of N-(3-nitrophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide?
N-(3-nitrophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide has a molecular weight of 324.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide is sourced from PubChem (CID 10314160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).