3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one

C8H8N2O2 — CID 4166894

IUPAC3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one
SMILESCC1Oc2ncccc2NC1=O
InChIInChI=1S/C8H8N2O2/c1-5-7(11)10-6-3-2-4-9-8(6)12-5/h2-5H,1H3,(H,10,11)
InChIKeySGXRJMPCRXELRU-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.80
Rot. Bonds

About 3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one

3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one (PubChem CID 4166894) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one
PubChem CID4166894
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one
SMILESCC1Oc2ncccc2NC1=O
InChIInChI=1S/C8H8N2O2/c1-5-7(11)10-6-3-2-4-9-8(6)12-5/h2-5H,1H3,(H,10,11)
InChIKeySGXRJMPCRXELRU-UHFFFAOYSA-N
XLogP0.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The IUPAC name of 3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one (CID 4166894) is 3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one.
What is the SMILES notation for 3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The canonical SMILES for 3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one is CC1Oc2ncccc2NC1=O.
What is the InChIKey of 3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one?
The InChIKey is SGXRJMPCRXELRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-5-7(11)10-6-3-2-4-9-8(6)12-5/h2-5H,1H3,(H,10,11).
What are the key properties of 3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one?
3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one has a molecular weight of 164.16 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-pyrido[2,3-b][1,4]oxazin-2-one is sourced from PubChem (CID 4166894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).