3-(3-methylphenyl)-1-prop-2-enylquinoxalin-2-one

C18H16N2O — CID 158009502

IUPAC3-(3-methylphenyl)-1-prop-2-enylquinoxalin-2-one
SMILESC=CCn1c(=O)c(-c2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C18H16N2O/c1-3-11-20-16-10-5-4-9-15(16)19-17(18(20)21)14-8-6-7-13(2)12-14/h3-10,12H,1,11H2,2H3
InChIKeyUJYGWFSVUAFJED-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.56
Rot. Bonds3

About 3-(3-methylphenyl)-1-prop-2-enylquinoxalin-2-one

3-(3-methylphenyl)-1-prop-2-enylquinoxalin-2-one (PubChem CID 158009502) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1-prop-2-enylquinoxalin-2-one.

Molecular Properties

Compound Name3-(3-methylphenyl)-1-prop-2-enylquinoxalin-2-one
PubChem CID158009502
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3-(3-methylphenyl)-1-prop-2-enylquinoxalin-2-one
SMILESC=CCn1c(=O)c(-c2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C18H16N2O/c1-3-11-20-16-10-5-4-9-15(16)19-17(18(20)21)14-8-6-7-13(2)12-14/h3-10,12H,1,11H2,2H3
InChIKeyUJYGWFSVUAFJED-UHFFFAOYSA-N
XLogP3.56
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-1-prop-2-enylquinoxalin-2-one
CID 67231173
3-(3-nitrophenyl)-1-prop-2-enylquinoxalin-2-one
CID 129286517
3-(1-methylindol-3-yl)-1-prop-2-enylquinoxalin-2-one
CID 134852173
3-(iodomethyl)-1-prop-2-enylquinoxalin-2-one
CID 163564919
2-(2,4-dimethylphenyl)-1-prop-2-enylbenzimidazole
CID 16987511
2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride
CID 173061092
2-(3-methylphenyl)-1-[(2-methylphenyl)methyl]benzimidazole
CID 17000755
2-(3-methylphenyl)-3,4-bis(prop-2-enyl)quinoline
CID 102128742
1-(methylsulfanylmethyl)-3-phenylquinoxalin-2-one
CID 56693755
2-[(1S)-1-(3-methylphenoxy)propyl]-1-prop-2-enylbenzimidazole
CID 51430276
2-fluoro-1-prop-2-enylbenzimidazole
CID 70361625
3-(3-hydroxypropyl)-1-prop-2-enylquinoxalin-2-one
CID 54477550

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1-prop-2-enylquinoxalin-2-one?
The IUPAC name of 3-(3-methylphenyl)-1-prop-2-enylquinoxalin-2-one (CID 158009502) is 3-(3-methylphenyl)-1-prop-2-enylquinoxalin-2-one.
What is the SMILES notation for 3-(3-methylphenyl)-1-prop-2-enylquinoxalin-2-one?
The canonical SMILES for 3-(3-methylphenyl)-1-prop-2-enylquinoxalin-2-one is C=CCn1c(=O)c(-c2cccc(C)c2)nc2ccccc21.
What is the InChIKey of 3-(3-methylphenyl)-1-prop-2-enylquinoxalin-2-one?
The InChIKey is UJYGWFSVUAFJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-3-11-20-16-10-5-4-9-15(16)19-17(18(20)21)14-8-6-7-13(2)12-14/h3-10,12H,1,11H2,2H3.
What are the key properties of 3-(3-methylphenyl)-1-prop-2-enylquinoxalin-2-one?
3-(3-methylphenyl)-1-prop-2-enylquinoxalin-2-one has a molecular weight of 276.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1-prop-2-enylquinoxalin-2-one is sourced from PubChem (CID 158009502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).