1-(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-methylpropan-1-one

C11H13BrN2O2 — CID 142612205

IUPAC1-(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCOc2ncc(Br)cc21
InChIInChI=1S/C11H13BrN2O2/c1-7(2)11(15)14-3-4-16-10-9(14)5-8(12)6-13-10/h5-7H,3-4H2,1-2H3
InChIKeyIDZHKEPDLCXJEI-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.23
Rot. Bonds1

About 1-(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-methylpropan-1-one

1-(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-methylpropan-1-one (PubChem CID 142612205) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 1-(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-methylpropan-1-one
PubChem CID142612205
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name1-(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCOc2ncc(Br)cc21
InChIInChI=1S/C11H13BrN2O2/c1-7(2)11(15)14-3-4-16-10-9(14)5-8(12)6-13-10/h5-7H,3-4H2,1-2H3
InChIKeyIDZHKEPDLCXJEI-UHFFFAOYSA-N
XLogP2.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-methylpropan-1-one (CID 142612205) is 1-(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-methylpropan-1-one is CC(C)C(=O)N1CCOc2ncc(Br)cc21.
What is the InChIKey of 1-(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-methylpropan-1-one?
The InChIKey is IDZHKEPDLCXJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-7(2)11(15)14-3-4-16-10-9(14)5-8(12)6-13-10/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-methylpropan-1-one?
1-(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-methylpropan-1-one has a molecular weight of 285.14 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 142612205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).