4,7-dimethoxy-1,4-benzoxazin-3-one

C10H11NO4 — CID 135083959

IUPAC4,7-dimethoxy-1,4-benzoxazin-3-one
SMILESCOc1ccc2c(c1)OCC(=O)N2OC
InChIInChI=1S/C10H11NO4/c1-13-7-3-4-8-9(5-7)15-6-10(12)11(8)14-2/h3-5H,6H2,1-2H3
InChIKeyYCPSKYCKGPHXMA-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.98
Rot. Bonds2

About 4,7-dimethoxy-1,4-benzoxazin-3-one

4,7-dimethoxy-1,4-benzoxazin-3-one (PubChem CID 135083959) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 4,7-dimethoxy-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4,7-dimethoxy-1,4-benzoxazin-3-one
PubChem CID135083959
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name4,7-dimethoxy-1,4-benzoxazin-3-one
SMILESCOc1ccc2c(c1)OCC(=O)N2OC
InChIInChI=1S/C10H11NO4/c1-13-7-3-4-8-9(5-7)15-6-10(12)11(8)14-2/h3-5H,6H2,1-2H3
InChIKeyYCPSKYCKGPHXMA-UHFFFAOYSA-N
XLogP0.98
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-1-benzofuran-3-one
CID 585368
6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one
CID 117001096
4-(3-iodo-2-methylpropyl)-6-methoxy-1,4-benzoxazin-3-one
CID 68912042
7-[(4-methoxyphenyl)methylamino]-4-prop-2-ynyl-1,4-benzoxazin-3-one
CID 94946596
2-(2,4-dimethoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)acetamide
CID 84554768
6-methoxy-4H-1,4-benzoxazin-3-one
CID 13204952
4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methoxy-1,4-benzoxazin-3-one
CID 66774191
4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one
CID 1431724
7-methoxy-3-methyl-2H-1,3-benzoxazin-4-one
CID 162417326
8-methoxy-2,3-dihydro-1,4-benzodioxepin-5-one
CID 102049944
7-methoxy-2,3-dihydro-1,4-benzoxazine-4-carbothioamide
CID 87302276
3,4-dihydroxy-7-methoxy-3H-1,4-benzoxazin-2-one
CID 71333801

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-1,4-benzoxazin-3-one?
The IUPAC name of 4,7-dimethoxy-1,4-benzoxazin-3-one (CID 135083959) is 4,7-dimethoxy-1,4-benzoxazin-3-one.
What is the SMILES notation for 4,7-dimethoxy-1,4-benzoxazin-3-one?
The canonical SMILES for 4,7-dimethoxy-1,4-benzoxazin-3-one is COc1ccc2c(c1)OCC(=O)N2OC.
What is the InChIKey of 4,7-dimethoxy-1,4-benzoxazin-3-one?
The InChIKey is YCPSKYCKGPHXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-13-7-3-4-8-9(5-7)15-6-10(12)11(8)14-2/h3-5H,6H2,1-2H3.
What are the key properties of 4,7-dimethoxy-1,4-benzoxazin-3-one?
4,7-dimethoxy-1,4-benzoxazin-3-one has a molecular weight of 209.20 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-1,4-benzoxazin-3-one is sourced from PubChem (CID 135083959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).