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

C16H16N2O — CID 53326305

IUPAC4-methyl-7-[(E)-2-phenylethenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCN1CCOc2cc(/C=C/c3ccccc3)cnc21
InChIInChI=1S/C16H16N2O/c1-18-9-10-19-15-11-14(12-17-16(15)18)8-7-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3/b8-7+
InChIKeySOAUMAWBZBMEON-BQYQJAHWSA-N
MW252.32 g/mol
LogP3.08
Rot. Bonds2

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

4-methyl-7-[(E)-2-phenylethenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 53326305) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-methyl-7-[(E)-2-phenylethenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name4-methyl-7-[(E)-2-phenylethenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID53326305
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-methyl-7-[(E)-2-phenylethenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCN1CCOc2cc(/C=C/c3ccccc3)cnc21
InChIInChI=1S/C16H16N2O/c1-18-9-10-19-15-11-14(12-17-16(15)18)8-7-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3/b8-7+
InChIKeySOAUMAWBZBMEON-BQYQJAHWSA-N
XLogP3.08
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[(E)-2-phenylethenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of 4-methyl-7-[(E)-2-phenylethenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 53326305) is 4-methyl-7-[(E)-2-phenylethenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 4-methyl-7-[(E)-2-phenylethenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 4-methyl-7-[(E)-2-phenylethenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine is CN1CCOc2cc(/C=C/c3ccccc3)cnc21.
What is the InChIKey of 4-methyl-7-[(E)-2-phenylethenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is SOAUMAWBZBMEON-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H16N2O/c1-18-9-10-19-15-11-14(12-17-16(15)18)8-7-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3/b8-7+.
What are the key properties of 4-methyl-7-[(E)-2-phenylethenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
4-methyl-7-[(E)-2-phenylethenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 252.32 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[(E)-2-phenylethenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 53326305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).