3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-1H-quinoxalin-2-one

C18H16N2O2 — CID 135623432

IUPAC3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-1H-quinoxalin-2-one
SMILESCc1cc(/C=C/c2nc3ccccc3[nH]c2=O)cc(C)c1O
InChIInChI=1S/C18H16N2O2/c1-11-9-13(10-12(2)17(11)21)7-8-16-18(22)20-15-6-4-3-5-14(15)19-16/h3-10,21H,1-2H3,(H,20,22)/b8-7+
InChIKeyPHVZKJSGNQUKGP-BQYQJAHWSA-N
MW292.34 g/mol
LogP3.42
Rot. Bonds2

About 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-1H-quinoxalin-2-one

3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-1H-quinoxalin-2-one (PubChem CID 135623432) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-1H-quinoxalin-2-one
PubChem CID135623432
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-1H-quinoxalin-2-one
SMILESCc1cc(/C=C/c2nc3ccccc3[nH]c2=O)cc(C)c1O
InChIInChI=1S/C18H16N2O2/c1-11-9-13(10-12(2)17(11)21)7-8-16-18(22)20-15-6-4-3-5-14(15)19-16/h3-10,21H,1-2H3,(H,20,22)/b8-7+
InChIKeyPHVZKJSGNQUKGP-BQYQJAHWSA-N
XLogP3.42
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(E)-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135725610
3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one
CID 2975704
3-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-quinoxalin-2-one
CID 91083494
3-[(E)-2-(4-hydroxy-3-nitrophenyl)ethenyl]-1H-quinoxalin-2-one
CID 135725609
(Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid
CID 2554781
3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 91938214
3-[(E)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]-1H-quinoxalin-2-one
CID 40671399
3-[(E)-2-(2-fluorophenyl)ethenyl]-1H-quinoxalin-2-one
CID 7150501
3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one
CID 137037919
3-(2-hydroxy-3,3-dimethylbut-1-enyl)-1H-quinoxalin-2-one
CID 702935
(Z)-2-(1H-benzimidazol-2-yl)-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-enenitrile
CID 135482391
6,7-difluoro-3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one
CID 22341125

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-1H-quinoxalin-2-one (CID 135623432) is 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-1H-quinoxalin-2-one is Cc1cc(/C=C/c2nc3ccccc3[nH]c2=O)cc(C)c1O.
What is the InChIKey of 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-1H-quinoxalin-2-one?
The InChIKey is PHVZKJSGNQUKGP-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-11-9-13(10-12(2)17(11)21)7-8-16-18(22)20-15-6-4-3-5-14(15)19-16/h3-10,21H,1-2H3,(H,20,22)/b8-7+.
What are the key properties of 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-1H-quinoxalin-2-one?
3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-1H-quinoxalin-2-one has a molecular weight of 292.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 135623432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).