1-[6-(2-phenylethynyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]ethanone

C17H14N2O2 — CID 53322380

IUPAC1-[6-(2-phenylethynyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]ethanone
SMILESCC(=O)N1CCOc2nc(C#Cc3ccccc3)ccc21
InChIInChI=1S/C17H14N2O2/c1-13(20)19-11-12-21-17-16(19)10-9-15(18-17)8-7-14-5-3-2-4-6-14/h2-6,9-10H,11-12H2,1H3
InChIKeyZQKDRKYFMGXQPZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.23
Rot. Bonds

About 1-[6-(2-phenylethynyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]ethanone

1-[6-(2-phenylethynyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]ethanone (PubChem CID 53322380) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[6-(2-phenylethynyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-(2-phenylethynyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]ethanone
PubChem CID53322380
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name1-[6-(2-phenylethynyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]ethanone
SMILESCC(=O)N1CCOc2nc(C#Cc3ccccc3)ccc21
InChIInChI=1S/C17H14N2O2/c1-13(20)19-11-12-21-17-16(19)10-9-15(18-17)8-7-14-5-3-2-4-6-14/h2-6,9-10H,11-12H2,1H3
InChIKeyZQKDRKYFMGXQPZ-UHFFFAOYSA-N
XLogP2.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-phenylethynyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]ethanone?
The IUPAC name of 1-[6-(2-phenylethynyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]ethanone (CID 53322380) is 1-[6-(2-phenylethynyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]ethanone.
What is the SMILES notation for 1-[6-(2-phenylethynyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]ethanone?
The canonical SMILES for 1-[6-(2-phenylethynyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]ethanone is CC(=O)N1CCOc2nc(C#Cc3ccccc3)ccc21.
What is the InChIKey of 1-[6-(2-phenylethynyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]ethanone?
The InChIKey is ZQKDRKYFMGXQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-13(20)19-11-12-21-17-16(19)10-9-15(18-17)8-7-14-5-3-2-4-6-14/h2-6,9-10H,11-12H2,1H3.
What are the key properties of 1-[6-(2-phenylethynyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]ethanone?
1-[6-(2-phenylethynyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]ethanone has a molecular weight of 278.31 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-phenylethynyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl]ethanone is sourced from PubChem (CID 53322380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).