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

C17H15N3O2 — CID 11709106

IUPACN-[2-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Cc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C17H15N3O2/c1-11(21)18-13-7-3-2-6-12(13)10-16-17(22)20-15-9-5-4-8-14(15)19-16/h2-9H,10H2,1H3,(H,18,21)(H,20,22)
InChIKeyXZUPDAXPXKNLGK-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.47
Rot. Bonds3

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

N-[2-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide (PubChem CID 11709106) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[2-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide
PubChem CID11709106
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[2-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Cc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C17H15N3O2/c1-11(21)18-13-7-3-2-6-12(13)10-16-17(22)20-15-9-5-4-8-14(15)19-16/h2-9H,10H2,1H3,(H,18,21)(H,20,22)
InChIKeyXZUPDAXPXKNLGK-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide
CID 15531658
[2-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl] acetate
CID 13004252
N-(2-ethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164668
N-[2-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]acetamide
CID 122191897
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
(2S)-2-[(3-oxo-4H-quinoxalin-2-yl)methoxy]propanoic acid
CID 104876248
benzene-1,2-diamine;3-benzyl-1H-quinoxalin-2-one;2-oxo-3-phenylpropanoic acid
CID 160851609
N-(2,6-dimethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164666
methyl 2-[methyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetate
CID 62027268
N-[2,6-di(propan-2-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164657
3-[(2-hydroxyphenyl)sulfanylmethyl]-1H-quinoxalin-2-one
CID 62000689
3-[ethyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]propanoic acid
CID 61011313

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[2-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide (CID 11709106) is N-[2-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide is CC(=O)Nc1ccccc1Cc1nc2ccccc2[nH]c1=O.
What is the InChIKey of N-[2-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide?
The InChIKey is XZUPDAXPXKNLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11(21)18-13-7-3-2-6-12(13)10-16-17(22)20-15-9-5-4-8-14(15)19-16/h2-9H,10H2,1H3,(H,18,21)(H,20,22).
What are the key properties of N-[2-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide?
N-[2-[(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-[2-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 11709106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).