7-acetyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one

C10H10N2O3 — CID 57258718

IUPAC7-acetyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCC(=O)c1cnc2c(c1)OCC(=O)N2C
InChIInChI=1S/C10H10N2O3/c1-6(13)7-3-8-10(11-4-7)12(2)9(14)5-15-8/h3-4H,5H2,1-2H3
InChIKeyPVOMHRKYOACHMU-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.64
Rot. Bonds1

About 7-acetyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one

7-acetyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 57258718) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 7-acetyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name7-acetyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one
PubChem CID57258718
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name7-acetyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCC(=O)c1cnc2c(c1)OCC(=O)N2C
InChIInChI=1S/C10H10N2O3/c1-6(13)7-3-8-10(11-4-7)12(2)9(14)5-15-8/h3-4H,5H2,1-2H3
InChIKeyPVOMHRKYOACHMU-UHFFFAOYSA-N
XLogP0.64
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-acetyl-1-methylpyrido[2,3-b][1,4]oxazin-2-one
CID 90292532
1-(12-propan-2-yl-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl)ethanone
CID 167173596
1-(3-benzyl-2H-[1,3]oxazolo[4,5-b]pyridin-6-yl)ethanone
CID 140969858
1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)ethanone
CID 66598503
N-(4-acetylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763910
4-methylpyrazino[2,3-b][1,4]oxazin-3-one
CID 130251557
4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 82492126
1-(2H-pyrido[3,2-b][1,4]oxazin-7-yl)ethanone
CID 141003132
4,7-dimethyl-3-methylidenepyrido[3,2-b][1,4]oxazine
CID 157066045
7-acetyl-4-phenyl-1,4-benzoxazin-3-one
CID 166716218
4-methyl-7-(2-oxopropyl)-1,4-benzoxazin-3-one
CID 116994835
N-(diaminomethylidene)-4-methyl-3-oxo-1,4-benzoxazine-7-carboxamide
CID 10610532

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 7-acetyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one (CID 57258718) is 7-acetyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 7-acetyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 7-acetyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one is CC(=O)c1cnc2c(c1)OCC(=O)N2C.
What is the InChIKey of 7-acetyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is PVOMHRKYOACHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-6(13)7-3-8-10(11-4-7)12(2)9(14)5-15-8/h3-4H,5H2,1-2H3.
What are the key properties of 7-acetyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one?
7-acetyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 206.20 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-4-methylpyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 57258718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).