2-(2-hydroxyethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one

C9H10N2O3 — CID 5168307

IUPAC2-(2-hydroxyethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1Nc2ncccc2OC1CCO
InChIInChI=1S/C9H10N2O3/c12-5-3-7-9(13)11-8-6(14-7)2-1-4-10-8/h1-2,4,7,12H,3,5H2,(H,10,11,13)
InChIKeyXOPGOUFNCUZCBT-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.16
Rot. Bonds2

About 2-(2-hydroxyethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one

2-(2-hydroxyethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 5168307) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID5168307
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-(2-hydroxyethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1Nc2ncccc2OC1CCO
InChIInChI=1S/C9H10N2O3/c12-5-3-7-9(13)11-8-6(14-7)2-1-4-10-8/h1-2,4,7,12H,3,5H2,(H,10,11,13)
InChIKeyXOPGOUFNCUZCBT-UHFFFAOYSA-N
XLogP0.16
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 5168307) is 2-(2-hydroxyethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1Nc2ncccc2OC1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is XOPGOUFNCUZCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-5-3-7-9(13)11-8-6(14-7)2-1-4-10-8/h1-2,4,7,12H,3,5H2,(H,10,11,13).
What are the key properties of 2-(2-hydroxyethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
2-(2-hydroxyethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 194.19 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 5168307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).