6-[(2R)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C12H15N3O3 — CID 66995780

IUPAC6-[(2R)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESC[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)CCO1
InChIInChI=1S/C12H15N3O3/c1-8-6-15(4-5-17-8)10-3-2-9-12(13-10)14-11(16)7-18-9/h2-3,8H,4-7H2,1H3,(H,13,14,16)/t8-/m1/s1
InChIKeyMCOALEWLKMMXIW-MRVPVSSYSA-N
MW249.27 g/mol
LogP0.64
Rot. Bonds1

About 6-[(2R)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[(2R)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 66995780) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-[(2R)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[(2R)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID66995780
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name6-[(2R)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESC[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)CCO1
InChIInChI=1S/C12H15N3O3/c1-8-6-15(4-5-17-8)10-3-2-9-12(13-10)14-11(16)7-18-9/h2-3,8H,4-7H2,1H3,(H,13,14,16)/t8-/m1/s1
InChIKeyMCOALEWLKMMXIW-MRVPVSSYSA-N
XLogP0.64
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[(2R)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 66995780) is 6-[(2R)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[(2R)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[(2R)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is C[C@@H]1CN(c2ccc3c(n2)NC(=O)CO3)CCO1.
What is the InChIKey of 6-[(2R)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is MCOALEWLKMMXIW-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8-6-15(4-5-17-8)10-3-2-9-12(13-10)14-11(16)7-18-9/h2-3,8H,4-7H2,1H3,(H,13,14,16)/t8-/m1/s1.
What are the key properties of 6-[(2R)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[(2R)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 249.27 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 66995780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).