4-methyl-7-(2-phenylethynyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine

C16H14N2O — CID 51003580

IUPAC4-methyl-7-(2-phenylethynyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCN1CCOc2cc(C#Cc3ccccc3)cnc21
InChIInChI=1S/C16H14N2O/c1-18-9-10-19-15-11-14(12-17-16(15)18)8-7-13-5-3-2-4-6-13/h2-6,11-12H,9-10H2,1H3
InChIKeyVUXRDOLWLFPPTE-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.31
Rot. Bonds

About 4-methyl-7-(2-phenylethynyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine

4-methyl-7-(2-phenylethynyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 51003580) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-methyl-7-(2-phenylethynyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name4-methyl-7-(2-phenylethynyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID51003580
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name4-methyl-7-(2-phenylethynyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCN1CCOc2cc(C#Cc3ccccc3)cnc21
InChIInChI=1S/C16H14N2O/c1-18-9-10-19-15-11-14(12-17-16(15)18)8-7-13-5-3-2-4-6-13/h2-6,11-12H,9-10H2,1H3
InChIKeyVUXRDOLWLFPPTE-UHFFFAOYSA-N
XLogP2.31
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.31
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 4-methyl-7-(2-phenylethynyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of 4-methyl-7-(2-phenylethynyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 51003580) is 4-methyl-7-(2-phenylethynyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 4-methyl-7-(2-phenylethynyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 4-methyl-7-(2-phenylethynyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine is CN1CCOc2cc(C#Cc3ccccc3)cnc21.
What is the InChIKey of 4-methyl-7-(2-phenylethynyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is VUXRDOLWLFPPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-18-9-10-19-15-11-14(12-17-16(15)18)8-7-13-5-3-2-4-6-13/h2-6,11-12H,9-10H2,1H3.
What are the key properties of 4-methyl-7-(2-phenylethynyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine?
4-methyl-7-(2-phenylethynyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 250.30 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(2-phenylethynyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 51003580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).