1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone

C9H10N2O2 — CID 16748396

IUPAC1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone
SMILESCC(=O)N1CCOc2cccnc21
InChIInChI=1S/C9H10N2O2/c1-7(12)11-5-6-13-8-3-2-4-10-9(8)11/h2-4H,5-6H2,1H3
InChIKeyWFIMERAIUXNFGL-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.83
Rot. Bonds

About 1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone

1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone (PubChem CID 16748396) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone
PubChem CID16748396
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone
SMILESCC(=O)N1CCOc2cccnc21
InChIInChI=1S/C9H10N2O2/c1-7(12)11-5-6-13-8-3-2-4-10-9(8)11/h2-4H,5-6H2,1H3
InChIKeyWFIMERAIUXNFGL-UHFFFAOYSA-N
XLogP0.83
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2H-pyrido(3,2-b)-1,4-oxazin-3(4H)-one
CID 88499
4-methyl-7-(phenoxymethyl)-2H,3H,4H-pyrido[3,2-b][1,4]oxazine
CID 51003564
(3-Ethoxy-pyridin-2-yl)-pyridin-2-yl-amine
CID 11321863
3,4-Dihydro-2-methyl-3-oxo-2H-pyrido[3,2-b]-1,4-oxazine-2-carboxylic acid
CID 4317073
2-methyl-3-oxo-N-(tetrahydro-2-furanylmethyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 3716873
7-(cyclohexyloxymethyl)-4-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 53319741
4-ethyl-7-(phenoxymethyl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 53321036
7-(phenoxymethyl)-2H-pyrido[3,2-b][1,4]oxazine-4(3H)-carboxylate
CID 53323740
1-(7-(phenoxymethyl)-2H-pyrido[3,2-b][1,4]oxazin-4(3H)-yl)ethanone
CID 53323741
(3-Ethoxy-pyridin-2-yl)-(6-methoxy-pyridin-2-yl)-amine
CID 11149253
(3-Ethoxy-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11368190
Ethyl 3,4-dihydro-2-methyl-3-oxo-2H-pyrido(3,2-b)-1,4-oxazine-2-carboxylate
CID 3813418

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone?
The IUPAC name of 1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone (CID 16748396) is 1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone is CC(=O)N1CCOc2cccnc21.
What is the InChIKey of 1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone?
The InChIKey is WFIMERAIUXNFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-7(12)11-5-6-13-8-3-2-4-10-9(8)11/h2-4H,5-6H2,1H3.
What are the key properties of 1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone?
1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone has a molecular weight of 178.19 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)ethanone is sourced from PubChem (CID 16748396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).