4-methylpyrido[3,4-e][1,3]oxazin-2-one

C8H6N2O2 — CID 142227791

IUPAC4-methylpyrido[3,4-e][1,3]oxazin-2-one
SMILESCc1nc(=O)oc2ccncc12
InChIInChI=1S/C8H6N2O2/c1-5-6-4-9-3-2-7(6)12-8(11)10-5/h2-4H,1H3
InChIKeyLTOYSIQAACZIBT-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.89
Rot. Bonds

About 4-methylpyrido[3,4-e][1,3]oxazin-2-one

4-methylpyrido[3,4-e][1,3]oxazin-2-one (PubChem CID 142227791) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 4-methylpyrido[3,4-e][1,3]oxazin-2-one.

Molecular Properties

Compound Name4-methylpyrido[3,4-e][1,3]oxazin-2-one
PubChem CID142227791
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name4-methylpyrido[3,4-e][1,3]oxazin-2-one
SMILESCc1nc(=O)oc2ccncc12
InChIInChI=1S/C8H6N2O2/c1-5-6-4-9-3-2-7(6)12-8(11)10-5/h2-4H,1H3
InChIKeyLTOYSIQAACZIBT-UHFFFAOYSA-N
XLogP0.89
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylpyrido[3,4-e][1,3]oxazin-2-one?
The IUPAC name of 4-methylpyrido[3,4-e][1,3]oxazin-2-one (CID 142227791) is 4-methylpyrido[3,4-e][1,3]oxazin-2-one.
What is the SMILES notation for 4-methylpyrido[3,4-e][1,3]oxazin-2-one?
The canonical SMILES for 4-methylpyrido[3,4-e][1,3]oxazin-2-one is Cc1nc(=O)oc2ccncc12.
What is the InChIKey of 4-methylpyrido[3,4-e][1,3]oxazin-2-one?
The InChIKey is LTOYSIQAACZIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c1-5-6-4-9-3-2-7(6)12-8(11)10-5/h2-4H,1H3.
What are the key properties of 4-methylpyrido[3,4-e][1,3]oxazin-2-one?
4-methylpyrido[3,4-e][1,3]oxazin-2-one has a molecular weight of 162.15 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyrido[3,4-e][1,3]oxazin-2-one is sourced from PubChem (CID 142227791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).