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

C10H12N2O3 — CID 116990504

IUPAC2-(2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCN1C(=O)C(CCO)Oc2cccnc21
InChIInChI=1S/C10H12N2O3/c1-12-9-7(3-2-5-11-9)15-8(4-6-13)10(12)14/h2-3,5,8,13H,4,6H2,1H3
InChIKeyMGMJQTADBOMSBN-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.19
Rot. Bonds2

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

2-(2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 116990504) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one
PubChem CID116990504
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-(2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCN1C(=O)C(CCO)Oc2cccnc21
InChIInChI=1S/C10H12N2O3/c1-12-9-7(3-2-5-11-9)15-8(4-6-13)10(12)14/h2-3,5,8,13H,4,6H2,1H3
InChIKeyMGMJQTADBOMSBN-UHFFFAOYSA-N
XLogP0.19
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one (CID 116990504) is 2-(2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one is CN1C(=O)C(CCO)Oc2cccnc21.
What is the InChIKey of 2-(2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is MGMJQTADBOMSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-12-9-7(3-2-5-11-9)15-8(4-6-13)10(12)14/h2-3,5,8,13H,4,6H2,1H3.
What are the key properties of 2-(2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
2-(2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 208.22 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 116990504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).