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

C9H10N2O2 — CID 175778023

IUPAC1-ethyl-4H-pyrido[4,3-d][1,3]oxazin-2-one
SMILESCCN1C(=O)OCc2cnccc21
InChIInChI=1S/C9H10N2O2/c1-2-11-8-3-4-10-5-7(8)6-13-9(11)12/h3-5H,2,6H2,1H3
InChIKeyDZVSBBDLQMIFOF-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.56
Rot. Bonds1

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

1-ethyl-4H-pyrido[4,3-d][1,3]oxazin-2-one (PubChem CID 175778023) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-ethyl-4H-pyrido[4,3-d][1,3]oxazin-2-one.

Molecular Properties

Compound Name1-ethyl-4H-pyrido[4,3-d][1,3]oxazin-2-one
PubChem CID175778023
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name1-ethyl-4H-pyrido[4,3-d][1,3]oxazin-2-one
SMILESCCN1C(=O)OCc2cnccc21
InChIInChI=1S/C9H10N2O2/c1-2-11-8-3-4-10-5-7(8)6-13-9(11)12/h3-5H,2,6H2,1H3
InChIKeyDZVSBBDLQMIFOF-UHFFFAOYSA-N
XLogP1.56
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4H-pyrido[4,3-d][1,3]oxazin-2-one?
The IUPAC name of 1-ethyl-4H-pyrido[4,3-d][1,3]oxazin-2-one (CID 175778023) is 1-ethyl-4H-pyrido[4,3-d][1,3]oxazin-2-one.
What is the SMILES notation for 1-ethyl-4H-pyrido[4,3-d][1,3]oxazin-2-one?
The canonical SMILES for 1-ethyl-4H-pyrido[4,3-d][1,3]oxazin-2-one is CCN1C(=O)OCc2cnccc21.
What is the InChIKey of 1-ethyl-4H-pyrido[4,3-d][1,3]oxazin-2-one?
The InChIKey is DZVSBBDLQMIFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-2-11-8-3-4-10-5-7(8)6-13-9(11)12/h3-5H,2,6H2,1H3.
What are the key properties of 1-ethyl-4H-pyrido[4,3-d][1,3]oxazin-2-one?
1-ethyl-4H-pyrido[4,3-d][1,3]oxazin-2-one has a molecular weight of 178.19 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4H-pyrido[4,3-d][1,3]oxazin-2-one is sourced from PubChem (CID 175778023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).