4-[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one

C18H17N3O6 — CID 8886531

IUPAC4-[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc(O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c([N+](=O)[O-])c1
InChIInChI=1S/C18H17N3O6/c1-11(27-16-8-7-12(26-2)9-15(16)21(24)25)18(23)20-10-17(22)19-13-5-3-4-6-14(13)20/h3-9,11H,10H2,1-2H3,(H,19,22)/t11-/m0/s1
InChIKeySFDONWQDXZZBNJ-NSHDSACASA-N
MW371.35 g/mol
LogP2.36
Rot. Bonds5

About 4-[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one

4-[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 8886531) has the molecular formula C18H17N3O6 and a molecular weight of 371.35 g/mol. Its IUPAC name is 4-[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID8886531
Molecular FormulaC18H17N3O6
Molecular Weight371.35 g/mol
Exact Mass371.11
IUPAC Name4-[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc(O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c([N+](=O)[O-])c1
InChIInChI=1S/C18H17N3O6/c1-11(27-16-8-7-12(26-2)9-15(16)21(24)25)18(23)20-10-17(22)19-13-5-3-4-6-14(13)20/h3-9,11H,10H2,1-2H3,(H,19,22)/t11-/m0/s1
InChIKeySFDONWQDXZZBNJ-NSHDSACASA-N
XLogP2.36
TPSA111.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one 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

4-[(2S)-2-(2-bromo-4-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8958012
4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8578040
4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 43818910
4-[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8728680
(2S)-2-(4-methoxy-2-nitrophenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 7549141
4-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 94434788
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(2-nitrophenyl)sulfanylacetate
CID 8945955
(2S)-1-(4-ethylpiperazin-1-yl)-2-(4-methoxy-2-nitrophenoxy)propan-1-one
CID 31475648
4-[(2S)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8845745
4-[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 100511695
4-[2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one
CID 132762267
1-[(2S)-2-(4-methyl-2-nitrophenoxy)propanoyl]imidazolidin-2-one
CID 8941013

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one (CID 8886531) is 4-[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one is COc1ccc(O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is SFDONWQDXZZBNJ-NSHDSACASA-N. The full InChI is InChI=1S/C18H17N3O6/c1-11(27-16-8-7-12(26-2)9-15(16)21(24)25)18(23)20-10-17(22)19-13-5-3-4-6-14(13)20/h3-9,11H,10H2,1-2H3,(H,19,22)/t11-/m0/s1.
What are the key properties of 4-[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
4-[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 371.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 8886531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).