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

C10H10N2O4 — CID 166000114

IUPAC2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid
SMILESCC1(C)Oc2cc(C(=O)O)cnc2NC1=O
InChIInChI=1S/C10H10N2O4/c1-10(2)9(15)12-7-6(16-10)3-5(4-11-7)8(13)14/h3-4H,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyBACPYGRMHFSNAT-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.89
Rot. Bonds1

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

2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid (PubChem CID 166000114) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid
PubChem CID166000114
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid
SMILESCC1(C)Oc2cc(C(=O)O)cnc2NC1=O
InChIInChI=1S/C10H10N2O4/c1-10(2)9(15)12-7-6(16-10)3-5(4-11-7)8(13)14/h3-4H,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyBACPYGRMHFSNAT-UHFFFAOYSA-N
XLogP0.89
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid (CID 166000114) is 2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid is CC1(C)Oc2cc(C(=O)O)cnc2NC1=O.
What is the InChIKey of 2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid?
The InChIKey is BACPYGRMHFSNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-10(2)9(15)12-7-6(16-10)3-5(4-11-7)8(13)14/h3-4H,1-2H3,(H,13,14)(H,11,12,15).
What are the key properties of 2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid?
2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid has a molecular weight of 222.20 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid is sourced from PubChem (CID 166000114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).