4-[(2R)-2-phenoxybutanoyl]-1,3-dihydroquinoxalin-2-one

C18H18N2O3 — CID 40747048

IUPAC4-[(2R)-2-phenoxybutanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCC[C@@H](Oc1ccccc1)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C18H18N2O3/c1-2-16(23-13-8-4-3-5-9-13)18(22)20-12-17(21)19-14-10-6-7-11-15(14)20/h3-11,16H,2,12H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyAVTXIJIWBMDGCZ-MRXNPFEDSA-N
MW310.35 g/mol
LogP2.83
Rot. Bonds4

About 4-[(2R)-2-phenoxybutanoyl]-1,3-dihydroquinoxalin-2-one

4-[(2R)-2-phenoxybutanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 40747048) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-[(2R)-2-phenoxybutanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[(2R)-2-phenoxybutanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID40747048
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name4-[(2R)-2-phenoxybutanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCC[C@@H](Oc1ccccc1)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C18H18N2O3/c1-2-16(23-13-8-4-3-5-9-13)18(22)20-12-17(21)19-14-10-6-7-11-15(14)20/h3-11,16H,2,12H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyAVTXIJIWBMDGCZ-MRXNPFEDSA-N
XLogP2.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2R)-2-phenoxybutanoyl]-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 43818910
2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
CID 103495892
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one
CID 7302330
(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid
CID 7647438
4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8596462
4-[2-[4-(5-methylpyrimidin-2-yl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 118133459
4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186
4-[2-[4-(2-hydroxyethyl)phenoxy]butanoyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 118071771
4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8578040
4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 61148811
4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one
CID 79810105

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-phenoxybutanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[(2R)-2-phenoxybutanoyl]-1,3-dihydroquinoxalin-2-one (CID 40747048) is 4-[(2R)-2-phenoxybutanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[(2R)-2-phenoxybutanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[(2R)-2-phenoxybutanoyl]-1,3-dihydroquinoxalin-2-one is CC[C@@H](Oc1ccccc1)C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-[(2R)-2-phenoxybutanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is AVTXIJIWBMDGCZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-16(23-13-8-4-3-5-9-13)18(22)20-12-17(21)19-14-10-6-7-11-15(14)20/h3-11,16H,2,12H2,1H3,(H,19,21)/t16-/m1/s1.
What are the key properties of 4-[(2R)-2-phenoxybutanoyl]-1,3-dihydroquinoxalin-2-one?
4-[(2R)-2-phenoxybutanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 310.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-phenoxybutanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 40747048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).