8-methoxy-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one

C16H13NO4 — CID 11346610

IUPAC8-methoxy-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one
SMILESCOc1ccccc1-c1nc2c(OC)cccc2c(=O)o1
InChIInChI=1S/C16H13NO4/c1-19-12-8-4-3-6-10(12)15-17-14-11(16(18)21-15)7-5-9-13(14)20-2/h3-9H,1-2H3
InChIKeyAHTDZDAKZGIKHO-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.87
Rot. Bonds3

About 8-methoxy-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one

8-methoxy-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one (PubChem CID 11346610) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 8-methoxy-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name8-methoxy-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one
PubChem CID11346610
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name8-methoxy-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one
SMILESCOc1ccccc1-c1nc2c(OC)cccc2c(=O)o1
InChIInChI=1S/C16H13NO4/c1-19-12-8-4-3-6-10(12)15-17-14-11(16(18)21-15)7-5-9-13(14)20-2/h3-9H,1-2H3
InChIKeyAHTDZDAKZGIKHO-UHFFFAOYSA-N
XLogP2.87
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-methoxy-2-(2-methoxyphenyl)-3,1-benzoxazin-4-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 8-methoxy-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one?
The IUPAC name of 8-methoxy-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one (CID 11346610) is 8-methoxy-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 8-methoxy-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 8-methoxy-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one is COc1ccccc1-c1nc2c(OC)cccc2c(=O)o1.
What is the InChIKey of 8-methoxy-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one?
The InChIKey is AHTDZDAKZGIKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-19-12-8-4-3-6-10(12)15-17-14-11(16(18)21-15)7-5-9-13(14)20-2/h3-9H,1-2H3.
What are the key properties of 8-methoxy-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one?
8-methoxy-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one has a molecular weight of 283.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-(2-methoxyphenyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 11346610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).