methyl 8-methoxy-4-methyl-3-oxo-1,4-benzoxazine-6-carboxylate

C12H13NO5 — CID 10777114

IUPACmethyl 8-methoxy-4-methyl-3-oxo-1,4-benzoxazine-6-carboxylate
SMILESCOC(=O)c1cc(OC)c2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C12H13NO5/c1-13-8-4-7(12(15)17-3)5-9(16-2)11(8)18-6-10(13)14/h4-5H,6H2,1-3H3
InChIKeyLOOXJYUTZGDZHG-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.84
Rot. Bonds2

About methyl 8-methoxy-4-methyl-3-oxo-1,4-benzoxazine-6-carboxylate

methyl 8-methoxy-4-methyl-3-oxo-1,4-benzoxazine-6-carboxylate (PubChem CID 10777114) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is methyl 8-methoxy-4-methyl-3-oxo-1,4-benzoxazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 8-methoxy-4-methyl-3-oxo-1,4-benzoxazine-6-carboxylate
PubChem CID10777114
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Namemethyl 8-methoxy-4-methyl-3-oxo-1,4-benzoxazine-6-carboxylate
SMILESCOC(=O)c1cc(OC)c2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C12H13NO5/c1-13-8-4-7(12(15)17-3)5-9(16-2)11(8)18-6-10(13)14/h4-5H,6H2,1-3H3
InChIKeyLOOXJYUTZGDZHG-UHFFFAOYSA-N
XLogP0.84
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 8-methoxy-4-methyl-3-oxo-1,4-benzoxazine-6-carboxylate?
The IUPAC name of methyl 8-methoxy-4-methyl-3-oxo-1,4-benzoxazine-6-carboxylate (CID 10777114) is methyl 8-methoxy-4-methyl-3-oxo-1,4-benzoxazine-6-carboxylate.
What is the SMILES notation for methyl 8-methoxy-4-methyl-3-oxo-1,4-benzoxazine-6-carboxylate?
The canonical SMILES for methyl 8-methoxy-4-methyl-3-oxo-1,4-benzoxazine-6-carboxylate is COC(=O)c1cc(OC)c2c(c1)N(C)C(=O)CO2.
What is the InChIKey of methyl 8-methoxy-4-methyl-3-oxo-1,4-benzoxazine-6-carboxylate?
The InChIKey is LOOXJYUTZGDZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c1-13-8-4-7(12(15)17-3)5-9(16-2)11(8)18-6-10(13)14/h4-5H,6H2,1-3H3.
What are the key properties of methyl 8-methoxy-4-methyl-3-oxo-1,4-benzoxazine-6-carboxylate?
methyl 8-methoxy-4-methyl-3-oxo-1,4-benzoxazine-6-carboxylate has a molecular weight of 251.24 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-methoxy-4-methyl-3-oxo-1,4-benzoxazine-6-carboxylate is sourced from PubChem (CID 10777114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).