3-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-quinoxalin-2-one

C18H17N3O — CID 91083494

IUPAC3-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-quinoxalin-2-one
SMILESCN(C)c1ccc(C=Cc2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C18H17N3O/c1-21(2)14-10-7-13(8-11-14)9-12-17-18(22)20-16-6-4-3-5-15(16)19-17/h3-12H,1-2H3,(H,20,22)
InChIKeySXELMHCMVHJAJC-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.16
Rot. Bonds3

About 3-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-quinoxalin-2-one

3-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-quinoxalin-2-one (PubChem CID 91083494) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-quinoxalin-2-one
PubChem CID91083494
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name3-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-quinoxalin-2-one
SMILESCN(C)c1ccc(C=Cc2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C18H17N3O/c1-21(2)14-10-7-13(8-11-14)9-12-17-18(22)20-16-6-4-3-5-15(16)19-17/h3-12H,1-2H3,(H,20,22)
InChIKeySXELMHCMVHJAJC-UHFFFAOYSA-N
XLogP3.16
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one
CID 2975704
3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135623432
3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 91938214
3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-quinoxalin-2-one
CID 7150501
4-[(E)-2-[4-(1H-benzimidazol-2-yl)-1-methylpyridin-1-ium-2-yl]ethenyl]-N,N-dimethylaniline
CID 12605819
(Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid
CID 2554781
3-[(E)-2-(4-hydroxy-3-nitrophenyl)ethenyl]-1H-quinoxalin-2-one
CID 135725609
4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane
CID 90927480
3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one
CID 137037919
6,7-difluoro-3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one
CID 22341125
(Z)-2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 6515964
4-[(E)-2-[6-(1H-benzimidazol-2-yl)-1-methylquinolin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline
CID 12605843

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-quinoxalin-2-one (CID 91083494) is 3-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-quinoxalin-2-one is CN(C)c1ccc(C=Cc2nc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of 3-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-quinoxalin-2-one?
The InChIKey is SXELMHCMVHJAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-21(2)14-10-7-13(8-11-14)9-12-17-18(22)20-16-6-4-3-5-15(16)19-17/h3-12H,1-2H3,(H,20,22).
What are the key properties of 3-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-quinoxalin-2-one?
3-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-quinoxalin-2-one has a molecular weight of 291.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 91083494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).