2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

C9H10N2O2 — CID 13087443

IUPAC2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCCC1Oc2cccnc2NC1=O
InChIInChI=1S/C9H10N2O2/c1-2-6-9(12)11-8-7(13-6)4-3-5-10-8/h3-6H,2H2,1H3,(H,10,11,12)
InChIKeyYURXLAXCWJSYBK-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.19
Rot. Bonds1

About 2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 13087443) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID13087443
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCCC1Oc2cccnc2NC1=O
InChIInChI=1S/C9H10N2O2/c1-2-6-9(12)11-8-7(13-6)4-3-5-10-8/h3-6H,2H2,1H3,(H,10,11,12)
InChIKeyYURXLAXCWJSYBK-UHFFFAOYSA-N
XLogP1.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 13087443) is 2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one is CCC1Oc2cccnc2NC1=O.
What is the InChIKey of 2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is YURXLAXCWJSYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-2-6-9(12)11-8-7(13-6)4-3-5-10-8/h3-6H,2H2,1H3,(H,10,11,12).
What are the key properties of 2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one?
2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 178.19 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 13087443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).