4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one

C16H16N2O — CID 117006573

IUPAC4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one
SMILESCC(c1ccccc1)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C16H16N2O/c1-12(13-7-3-2-4-8-13)18-11-16(19)17-14-9-5-6-10-15(14)18/h2-10,12H,11H2,1H3,(H,17,19)
InChIKeyJTLPSYRGVMKIMH-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.21
Rot. Bonds2

About 4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one

4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 117006573) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one
PubChem CID117006573
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one
SMILESCC(c1ccccc1)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C16H16N2O/c1-12(13-7-3-2-4-8-13)18-11-16(19)17-14-9-5-6-10-15(14)18/h2-10,12H,11H2,1H3,(H,17,19)
InChIKeyJTLPSYRGVMKIMH-UHFFFAOYSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanehydrazide
CID 63571192
N,N-dibenzyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide
CID 4788717
4-[(2S)-2-(benzhydrylamino)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8596462
4-(1-aminopentan-3-yl)-1,3-dihydroquinoxalin-2-one
CID 43174942
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
9-(1-phenylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64957690
4-[(2R)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8641144
(2R)-N-(3,5-dichlorophenyl)-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)-2-phenylacetamide
CID 2476808
1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-benzimidazole
CID 91030651
4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186
2,2-dimethyl-4-(1-phenylethyl)-1,4-diazepan-5-one
CID 117023656

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one (CID 117006573) is 4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one is CC(c1ccccc1)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is JTLPSYRGVMKIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12(13-7-3-2-4-8-13)18-11-16(19)17-14-9-5-6-10-15(14)18/h2-10,12H,11H2,1H3,(H,17,19).
What are the key properties of 4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one?
4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 252.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 117006573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).