1-(2-methylprop-2-enyl)-3-propan-2-yl-3,4-dihydroquinoxalin-2-one

C15H20N2O — CID 82157186

IUPAC1-(2-methylprop-2-enyl)-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESC=C(C)CN1C(=O)C(C(C)C)Nc2ccccc21
InChIInChI=1S/C15H20N2O/c1-10(2)9-17-13-8-6-5-7-12(13)16-14(11(3)4)15(17)18/h5-8,11,14,16H,1,9H2,2-4H3
InChIKeyZWBIFYWOYRRFMH-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.05
Rot. Bonds3

About 1-(2-methylprop-2-enyl)-3-propan-2-yl-3,4-dihydroquinoxalin-2-one

1-(2-methylprop-2-enyl)-3-propan-2-yl-3,4-dihydroquinoxalin-2-one (PubChem CID 82157186) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-3-propan-2-yl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
PubChem CID82157186
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(2-methylprop-2-enyl)-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESC=C(C)CN1C(=O)C(C(C)C)Nc2ccccc21
InChIInChI=1S/C15H20N2O/c1-10(2)9-17-13-8-6-5-7-12(13)16-14(11(3)4)15(17)18/h5-8,11,14,16H,1,9H2,2-4H3
InChIKeyZWBIFYWOYRRFMH-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylprop-2-enyl)-3-phenyl-3,4-dihydroquinoxalin-2-one
CID 82157142
2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)-N-propylacetamide
CID 82157190
1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one
CID 82156911
2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157156
propan-2-yl 2-(2-oxo-3-propan-2-yl-3,4-dihydroquinoxalin-1-yl)propanoate
CID 110832299
1-(2-methylpropyl)-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79906777
3-methyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
CID 82156979
1-(3-methylbutyl)-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79909583
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-phenylacetamide
CID 41200746
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-phenylacetamide
CID 17409210
N-(4-chlorophenyl)-2-[(3S)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide
CID 71829706
N-(4-chlorophenyl)-2-[(3R)-2,5-dioxo-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide
CID 96564219

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-3-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-(2-methylprop-2-enyl)-3-propan-2-yl-3,4-dihydroquinoxalin-2-one (CID 82157186) is 1-(2-methylprop-2-enyl)-3-propan-2-yl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-3-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-(2-methylprop-2-enyl)-3-propan-2-yl-3,4-dihydroquinoxalin-2-one is C=C(C)CN1C(=O)C(C(C)C)Nc2ccccc21.
What is the InChIKey of 1-(2-methylprop-2-enyl)-3-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The InChIKey is ZWBIFYWOYRRFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10(2)9-17-13-8-6-5-7-12(13)16-14(11(3)4)15(17)18/h5-8,11,14,16H,1,9H2,2-4H3.
What are the key properties of 1-(2-methylprop-2-enyl)-3-propan-2-yl-3,4-dihydroquinoxalin-2-one?
1-(2-methylprop-2-enyl)-3-propan-2-yl-3,4-dihydroquinoxalin-2-one has a molecular weight of 244.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-3-propan-2-yl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 82157186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).