2-methoxy-1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)butan-1-one

C13H18N2O3 — CID 146085150

IUPAC2-methoxy-1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)butan-1-one
SMILESCCC(OC)C(=O)N1CCOc2ncc(C)cc21
InChIInChI=1S/C13H18N2O3/c1-4-11(17-3)13(16)15-5-6-18-12-10(15)7-9(2)8-14-12/h7-8,11H,4-6H2,1-3H3
InChIKeyGICVQPJVYSUHCG-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.54
Rot. Bonds3

About 2-methoxy-1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)butan-1-one

2-methoxy-1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)butan-1-one (PubChem CID 146085150) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-methoxy-1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-methoxy-1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)butan-1-one
PubChem CID146085150
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-methoxy-1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)butan-1-one
SMILESCCC(OC)C(=O)N1CCOc2ncc(C)cc21
InChIInChI=1S/C13H18N2O3/c1-4-11(17-3)13(16)15-5-6-18-12-10(15)7-9(2)8-14-12/h7-8,11H,4-6H2,1-3H3
InChIKeyGICVQPJVYSUHCG-UHFFFAOYSA-N
XLogP1.54
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)butan-1-one?
The IUPAC name of 2-methoxy-1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)butan-1-one (CID 146085150) is 2-methoxy-1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)butan-1-one.
What is the SMILES notation for 2-methoxy-1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)butan-1-one?
The canonical SMILES for 2-methoxy-1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)butan-1-one is CCC(OC)C(=O)N1CCOc2ncc(C)cc21.
What is the InChIKey of 2-methoxy-1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)butan-1-one?
The InChIKey is GICVQPJVYSUHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-11(17-3)13(16)15-5-6-18-12-10(15)7-9(2)8-14-12/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 2-methoxy-1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)butan-1-one?
2-methoxy-1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)butan-1-one has a molecular weight of 250.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)butan-1-one is sourced from PubChem (CID 146085150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).