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

C14H12F2N2O — CID 117000762

IUPAC7-(3,4-difluorophenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCN1CCOc2cc(-c3ccc(F)c(F)c3)cnc21
InChIInChI=1S/C14H12F2N2O/c1-18-4-5-19-13-7-10(8-17-14(13)18)9-2-3-11(15)12(16)6-9/h2-3,6-8H,4-5H2,1H3
InChIKeyZJEBLOGUNKUSRF-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.86
Rot. Bonds1

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

7-(3,4-difluorophenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 117000762) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 7-(3,4-difluorophenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name7-(3,4-difluorophenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID117000762
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name7-(3,4-difluorophenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCN1CCOc2cc(-c3ccc(F)c(F)c3)cnc21
InChIInChI=1S/C14H12F2N2O/c1-18-4-5-19-13-7-10(8-17-14(13)18)9-2-3-11(15)12(16)6-9/h2-3,6-8H,4-5H2,1H3
InChIKeyZJEBLOGUNKUSRF-UHFFFAOYSA-N
XLogP2.86
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-difluorophenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of 7-(3,4-difluorophenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 117000762) is 7-(3,4-difluorophenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 7-(3,4-difluorophenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 7-(3,4-difluorophenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine is CN1CCOc2cc(-c3ccc(F)c(F)c3)cnc21.
What is the InChIKey of 7-(3,4-difluorophenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is ZJEBLOGUNKUSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c1-18-4-5-19-13-7-10(8-17-14(13)18)9-2-3-11(15)12(16)6-9/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 7-(3,4-difluorophenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
7-(3,4-difluorophenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 262.26 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-difluorophenyl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 117000762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).