6-(3,4-dimethoxyphenyl)-4-phenacylpyrido[3,2-b][1,4]oxazin-3-one

C23H20N2O5 — CID 58346248

IUPAC6-(3,4-dimethoxyphenyl)-4-phenacylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc(-c2ccc3c(n2)N(CC(=O)c2ccccc2)C(=O)CO3)cc1OC
InChIInChI=1S/C23H20N2O5/c1-28-19-10-8-16(12-21(19)29-2)17-9-11-20-23(24-17)25(22(27)14-30-20)13-18(26)15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3
InChIKeyGICZTYUGJRRTPG-UHFFFAOYSA-N
MW404.42 g/mol
LogP3.37
Rot. Bonds6

About 6-(3,4-dimethoxyphenyl)-4-phenacylpyrido[3,2-b][1,4]oxazin-3-one

6-(3,4-dimethoxyphenyl)-4-phenacylpyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 58346248) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-4-phenacylpyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-4-phenacylpyrido[3,2-b][1,4]oxazin-3-one
PubChem CID58346248
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name6-(3,4-dimethoxyphenyl)-4-phenacylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCOc1ccc(-c2ccc3c(n2)N(CC(=O)c2ccccc2)C(=O)CO3)cc1OC
InChIInChI=1S/C23H20N2O5/c1-28-19-10-8-16(12-21(19)29-2)17-9-11-20-23(24-17)25(22(27)14-30-20)13-18(26)15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3
InChIKeyGICZTYUGJRRTPG-UHFFFAOYSA-N
XLogP3.37
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(3,4-dimethoxyphenyl)-4-phenacylpyrido[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-(3,4-dimethoxyphenyl)-4-phenacylpyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-4-phenacylpyrido[3,2-b][1,4]oxazin-3-one (CID 58346248) is 6-(3,4-dimethoxyphenyl)-4-phenacylpyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-4-phenacylpyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-4-phenacylpyrido[3,2-b][1,4]oxazin-3-one is COc1ccc(-c2ccc3c(n2)N(CC(=O)c2ccccc2)C(=O)CO3)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-4-phenacylpyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is GICZTYUGJRRTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-28-19-10-8-16(12-21(19)29-2)17-9-11-20-23(24-17)25(22(27)14-30-20)13-18(26)15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-4-phenacylpyrido[3,2-b][1,4]oxazin-3-one?
6-(3,4-dimethoxyphenyl)-4-phenacylpyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 404.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-4-phenacylpyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 58346248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).