6,7-dimethoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one

C17H15NO4 — CID 714759

IUPAC6,7-dimethoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one
SMILESCOc1cc2nc(-c3ccccc3C)oc(=O)c2cc1OC
InChIInChI=1S/C17H15NO4/c1-10-6-4-5-7-11(10)16-18-13-9-15(21-3)14(20-2)8-12(13)17(19)22-16/h4-9H,1-3H3
InChIKeyOYVGERUZAUOBSX-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.18
Rot. Bonds3

About 6,7-dimethoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one

6,7-dimethoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one (PubChem CID 714759) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one
PubChem CID714759
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name6,7-dimethoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one
SMILESCOc1cc2nc(-c3ccccc3C)oc(=O)c2cc1OC
InChIInChI=1S/C17H15NO4/c1-10-6-4-5-7-11(10)16-18-13-9-15(21-3)14(20-2)8-12(13)17(19)22-16/h4-9H,1-3H3
InChIKeyOYVGERUZAUOBSX-UHFFFAOYSA-N
XLogP3.18
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one?
The IUPAC name of 6,7-dimethoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one (CID 714759) is 6,7-dimethoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one?
The canonical SMILES for 6,7-dimethoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one is COc1cc2nc(-c3ccccc3C)oc(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one?
The InChIKey is OYVGERUZAUOBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-10-6-4-5-7-11(10)16-18-13-9-15(21-3)14(20-2)8-12(13)17(19)22-16/h4-9H,1-3H3.
What are the key properties of 6,7-dimethoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one?
6,7-dimethoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one has a molecular weight of 297.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(2-methylphenyl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 714759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).