6-(2-chlorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one

C13H9ClN2O2 — CID 117001049

IUPAC6-(2-chlorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(-c3ccccc3Cl)nc2N1
InChIInChI=1S/C13H9ClN2O2/c14-9-4-2-1-3-8(9)10-5-6-11-13(15-10)16-12(17)7-18-11/h1-6H,7H2,(H,15,16,17)
InChIKeyGZTQGDQHDGJHTI-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.73
Rot. Bonds1

About 6-(2-chlorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-(2-chlorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 117001049) has the molecular formula C13H9ClN2O2 and a molecular weight of 260.68 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID117001049
Molecular FormulaC13H9ClN2O2
Molecular Weight260.68 g/mol
Exact Mass260.04
IUPAC Name6-(2-chlorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(-c3ccccc3Cl)nc2N1
InChIInChI=1S/C13H9ClN2O2/c14-9-4-2-1-3-8(9)10-5-6-11-13(15-10)16-12(17)7-18-11/h1-6H,7H2,(H,15,16,17)
InChIKeyGZTQGDQHDGJHTI-UHFFFAOYSA-N
XLogP2.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2-chlorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one 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 6-(2-chlorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-(2-chlorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 117001049) is 6-(2-chlorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-(2-chlorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-(2-chlorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2ccc(-c3ccccc3Cl)nc2N1.
What is the InChIKey of 6-(2-chlorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is GZTQGDQHDGJHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2/c14-9-4-2-1-3-8(9)10-5-6-11-13(15-10)16-12(17)7-18-11/h1-6H,7H2,(H,15,16,17).
What are the key properties of 6-(2-chlorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-(2-chlorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 260.68 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 117001049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).