3-phenyl-1-prop-2-enylquinoxalin-2-one

C17H14N2O — CID 67231173

IUPAC3-phenyl-1-prop-2-enylquinoxalin-2-one
SMILESC=CCn1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C17H14N2O/c1-2-12-19-15-11-7-6-10-14(15)18-16(17(19)20)13-8-4-3-5-9-13/h2-11H,1,12H2
InChIKeyHUDHULRMZYNDDX-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.25
Rot. Bonds3

About 3-phenyl-1-prop-2-enylquinoxalin-2-one

3-phenyl-1-prop-2-enylquinoxalin-2-one (PubChem CID 67231173) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-phenyl-1-prop-2-enylquinoxalin-2-one.

Molecular Properties

Compound Name3-phenyl-1-prop-2-enylquinoxalin-2-one
PubChem CID67231173
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name3-phenyl-1-prop-2-enylquinoxalin-2-one
SMILESC=CCn1c(=O)c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C17H14N2O/c1-2-12-19-15-11-7-6-10-14(15)18-16(17(19)20)13-8-4-3-5-9-13/h2-11H,1,12H2
InChIKeyHUDHULRMZYNDDX-UHFFFAOYSA-N
XLogP3.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-prop-2-enylquinoxalin-2-one?
The IUPAC name of 3-phenyl-1-prop-2-enylquinoxalin-2-one (CID 67231173) is 3-phenyl-1-prop-2-enylquinoxalin-2-one.
What is the SMILES notation for 3-phenyl-1-prop-2-enylquinoxalin-2-one?
The canonical SMILES for 3-phenyl-1-prop-2-enylquinoxalin-2-one is C=CCn1c(=O)c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 3-phenyl-1-prop-2-enylquinoxalin-2-one?
The InChIKey is HUDHULRMZYNDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-2-12-19-15-11-7-6-10-14(15)18-16(17(19)20)13-8-4-3-5-9-13/h2-11H,1,12H2.
What are the key properties of 3-phenyl-1-prop-2-enylquinoxalin-2-one?
3-phenyl-1-prop-2-enylquinoxalin-2-one has a molecular weight of 262.31 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-prop-2-enylquinoxalin-2-one is sourced from PubChem (CID 67231173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).