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

C18H18N2O — CID 82157142

IUPAC1-(2-methylprop-2-enyl)-3-phenyl-3,4-dihydroquinoxalin-2-one
SMILESC=C(C)CN1C(=O)C(c2ccccc2)Nc2ccccc21
InChIInChI=1S/C18H18N2O/c1-13(2)12-20-16-11-7-6-10-15(16)19-17(18(20)21)14-8-4-3-5-9-14/h3-11,17,19H,1,12H2,2H3
InChIKeyWGCQBYAUXWGRKA-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.76
Rot. Bonds3

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

1-(2-methylprop-2-enyl)-3-phenyl-3,4-dihydroquinoxalin-2-one (PubChem CID 82157142) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-3-phenyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-3-phenyl-3,4-dihydroquinoxalin-2-one
PubChem CID82157142
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-(2-methylprop-2-enyl)-3-phenyl-3,4-dihydroquinoxalin-2-one
SMILESC=C(C)CN1C(=O)C(c2ccccc2)Nc2ccccc21
InChIInChI=1S/C18H18N2O/c1-13(2)12-20-16-11-7-6-10-15(16)19-17(18(20)21)14-8-4-3-5-9-14/h3-11,17,19H,1,12H2,2H3
InChIKeyWGCQBYAUXWGRKA-UHFFFAOYSA-N
XLogP3.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.76
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-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 82157186
1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one
CID 82156911
3-phenyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 82157135
3-ethyl-5-phenylimidazolidine-2,4-dione
CID 3292
3-ethyl-5-phenylimidazolidine-2,4-dione;hydrochloride
CID 140541909
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571944
3-(2-methylpropyl)-5-phenylimidazolidine-2,4-dione
CID 84571226
6,7-difluoro-3-phenyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one
CID 82157494
tert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 125482450
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetohydrazide
CID 84571871
6-[(3R)-2,5-dioxo-3-phenyl-3,4-dihydro-1,4-benzodiazepin-1-yl]hexanoic acid
CID 69495554
8-ethyl-6-(2-methylprop-2-enyl)-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxalin-7-one
CID 82157756

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-3-phenyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-(2-methylprop-2-enyl)-3-phenyl-3,4-dihydroquinoxalin-2-one (CID 82157142) is 1-(2-methylprop-2-enyl)-3-phenyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-3-phenyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-(2-methylprop-2-enyl)-3-phenyl-3,4-dihydroquinoxalin-2-one is C=C(C)CN1C(=O)C(c2ccccc2)Nc2ccccc21.
What is the InChIKey of 1-(2-methylprop-2-enyl)-3-phenyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is WGCQBYAUXWGRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13(2)12-20-16-11-7-6-10-15(16)19-17(18(20)21)14-8-4-3-5-9-14/h3-11,17,19H,1,12H2,2H3.
What are the key properties of 1-(2-methylprop-2-enyl)-3-phenyl-3,4-dihydroquinoxalin-2-one?
1-(2-methylprop-2-enyl)-3-phenyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 278.36 g/mol, XLogP of 3.76, 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-phenyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 82157142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).