7-(2-phenylethynyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

C15H12N2O — CID 53318400

IUPAC7-(2-phenylethynyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESC(#Cc1cnc2c(c1)OCCN2)c1ccccc1
InChIInChI=1S/C15H12N2O/c1-2-4-12(5-3-1)6-7-13-10-14-15(17-11-13)16-8-9-18-14/h1-5,10-11H,8-9H2,(H,16,17)
InChIKeyMXERUOIYGDQKKP-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.29
Rot. Bonds

About 7-(2-phenylethynyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

7-(2-phenylethynyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 53318400) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 7-(2-phenylethynyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name7-(2-phenylethynyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID53318400
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name7-(2-phenylethynyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESC(#Cc1cnc2c(c1)OCCN2)c1ccccc1
InChIInChI=1S/C15H12N2O/c1-2-4-12(5-3-1)6-7-13-10-14-15(17-11-13)16-8-9-18-14/h1-5,10-11H,8-9H2,(H,16,17)
InChIKeyMXERUOIYGDQKKP-UHFFFAOYSA-N
XLogP2.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
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 7-(2-phenylethynyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 7-(2-phenylethynyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 53318400) is 7-(2-phenylethynyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 7-(2-phenylethynyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 7-(2-phenylethynyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is C(#Cc1cnc2c(c1)OCCN2)c1ccccc1.
What is the InChIKey of 7-(2-phenylethynyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is MXERUOIYGDQKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-2-4-12(5-3-1)6-7-13-10-14-15(17-11-13)16-8-9-18-14/h1-5,10-11H,8-9H2,(H,16,17).
What are the key properties of 7-(2-phenylethynyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
7-(2-phenylethynyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 236.27 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-phenylethynyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 53318400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).