3-(2-phenylethyl)-1H-quinoxalin-2-one

C16H14N2O — CID 4884003

IUPAC3-(2-phenylethyl)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1CCc1ccccc1
InChIInChI=1S/C16H14N2O/c19-16-15(11-10-12-6-2-1-3-7-12)17-13-8-4-5-9-14(13)18-16/h1-9H,10-11H2,(H,18,19)
InChIKeyMPWXFMCRVGXYKZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.71
Rot. Bonds3

About 3-(2-phenylethyl)-1H-quinoxalin-2-one

3-(2-phenylethyl)-1H-quinoxalin-2-one (PubChem CID 4884003) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(2-phenylethyl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(2-phenylethyl)-1H-quinoxalin-2-one
PubChem CID4884003
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name3-(2-phenylethyl)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1CCc1ccccc1
InChIInChI=1S/C16H14N2O/c19-16-15(11-10-12-6-2-1-3-7-12)17-13-8-4-5-9-14(13)18-16/h1-9H,10-11H2,(H,18,19)
InChIKeyMPWXFMCRVGXYKZ-UHFFFAOYSA-N
XLogP2.71
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-1H-quinoxalin-2-one?
The IUPAC name of 3-(2-phenylethyl)-1H-quinoxalin-2-one (CID 4884003) is 3-(2-phenylethyl)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(2-phenylethyl)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(2-phenylethyl)-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1CCc1ccccc1.
What is the InChIKey of 3-(2-phenylethyl)-1H-quinoxalin-2-one?
The InChIKey is MPWXFMCRVGXYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-16-15(11-10-12-6-2-1-3-7-12)17-13-8-4-5-9-14(13)18-16/h1-9H,10-11H2,(H,18,19).
What are the key properties of 3-(2-phenylethyl)-1H-quinoxalin-2-one?
3-(2-phenylethyl)-1H-quinoxalin-2-one has a molecular weight of 250.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-1H-quinoxalin-2-one is sourced from PubChem (CID 4884003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).