2,4-dimethyl-6-oxo-3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid

C10H12N2O4 — CID 90283410

IUPAC2,4-dimethyl-6-oxo-3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid
SMILESCC1CN(C)c2[nH]c(=O)c(C(=O)O)cc2O1
InChIInChI=1S/C10H12N2O4/c1-5-4-12(2)8-7(16-5)3-6(10(14)15)9(13)11-8/h3,5H,4H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyFFJYZCJANGRNCL-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.29
Rot. Bonds1

About 2,4-dimethyl-6-oxo-3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid

2,4-dimethyl-6-oxo-3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid (PubChem CID 90283410) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid
PubChem CID90283410
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2,4-dimethyl-6-oxo-3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid
SMILESCC1CN(C)c2[nH]c(=O)c(C(=O)O)cc2O1
InChIInChI=1S/C10H12N2O4/c1-5-4-12(2)8-7(16-5)3-6(10(14)15)9(13)11-8/h3,5H,4H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyFFJYZCJANGRNCL-UHFFFAOYSA-N
XLogP0.29
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,4-dimethyl-6-oxo-3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid?
The IUPAC name of 2,4-dimethyl-6-oxo-3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid (CID 90283410) is 2,4-dimethyl-6-oxo-3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-6-oxo-3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-6-oxo-3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid is CC1CN(C)c2[nH]c(=O)c(C(=O)O)cc2O1.
What is the InChIKey of 2,4-dimethyl-6-oxo-3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid?
The InChIKey is FFJYZCJANGRNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-5-4-12(2)8-7(16-5)3-6(10(14)15)9(13)11-8/h3,5H,4H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2,4-dimethyl-6-oxo-3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid?
2,4-dimethyl-6-oxo-3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxo-3,5-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid is sourced from PubChem (CID 90283410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).