2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid

C9H8N2O4 — CID 4317073

IUPAC2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid
SMILESCC1(C(=O)O)Oc2cccnc2NC1=O
InChIInChI=1S/C9H8N2O4/c1-9(8(13)14)7(12)11-6-5(15-9)3-2-4-10-6/h2-4H,1H3,(H,13,14)(H,10,11,12)
InChIKeyBQBSUGPNZXJKEH-UHFFFAOYSA-N
MW208.17 g/mol
LogP0.26
Rot. Bonds1

About 2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid

2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid (PubChem CID 4317073) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid
PubChem CID4317073
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid
SMILESCC1(C(=O)O)Oc2cccnc2NC1=O
InChIInChI=1S/C9H8N2O4/c1-9(8(13)14)7(12)11-6-5(15-9)3-2-4-10-6/h2-4H,1H3,(H,13,14)(H,10,11,12)
InChIKeyBQBSUGPNZXJKEH-UHFFFAOYSA-N
XLogP0.26
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid?
The IUPAC name of 2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid (CID 4317073) is 2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid?
The canonical SMILES for 2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid is CC1(C(=O)O)Oc2cccnc2NC1=O.
What is the InChIKey of 2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid?
The InChIKey is BQBSUGPNZXJKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c1-9(8(13)14)7(12)11-6-5(15-9)3-2-4-10-6/h2-4H,1H3,(H,13,14)(H,10,11,12).
What are the key properties of 2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid?
2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid has a molecular weight of 208.17 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid is sourced from PubChem (CID 4317073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).