N-[4-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide

C17H15N3O2 — CID 15531658

IUPACN-[4-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C17H15N3O2/c1-11(21)18-13-8-6-12(7-9-13)10-16-17(22)20-15-5-3-2-4-14(15)19-16/h2-9H,10H2,1H3,(H,18,21)(H,20,22)
InChIKeyYLLSASZHZIUHDL-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.47
Rot. Bonds3

About N-[4-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide

N-[4-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide (PubChem CID 15531658) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[4-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide
PubChem CID15531658
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[4-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C17H15N3O2/c1-11(21)18-13-8-6-12(7-9-13)10-16-17(22)20-15-5-3-2-4-14(15)19-16/h2-9H,10H2,1H3,(H,18,21)(H,20,22)
InChIKeyYLLSASZHZIUHDL-UHFFFAOYSA-N
XLogP2.47
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide
CID 11709106
benzene-1,2-diamine;3-benzyl-1H-quinoxalin-2-one;2-oxo-3-phenylpropanoic acid
CID 160851609
[2-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl] acetate
CID 13004252
2-(4-fluorophenyl)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide
CID 46390468
2-(4-acetamidophenyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 75136988
1-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]-3-phenylurea
CID 46390482
N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164677
3-[(3-bromo-4-methoxyphenyl)methyl]-1H-quinoxalin-2-one
CID 15995556
(2S)-2-[(3-oxo-4H-quinoxalin-2-yl)methoxy]propanoic acid
CID 104876248
N-[4-[[6-[(4-methylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 135561138
N-(2,6-dimethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164666
2-methoxy-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]benzamide
CID 46390444

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide (CID 15531658) is N-[4-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide is CC(=O)Nc1ccc(Cc2nc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of N-[4-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide?
The InChIKey is YLLSASZHZIUHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11(21)18-13-8-6-12(7-9-13)10-16-17(22)20-15-5-3-2-4-14(15)19-16/h2-9H,10H2,1H3,(H,18,21)(H,20,22).
What are the key properties of N-[4-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide?
N-[4-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide has a molecular weight of 293.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 15531658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).