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

C13H15NO5 — CID 10659332

IUPACmethyl 4-ethyl-8-methoxy-3-oxo-1,4-benzoxazine-6-carboxylate
SMILESCCN1C(=O)COc2c(OC)cc(C(=O)OC)cc21
InChIInChI=1S/C13H15NO5/c1-4-14-9-5-8(13(16)18-3)6-10(17-2)12(9)19-7-11(14)15/h5-6H,4,7H2,1-3H3
InChIKeyWPOFUZGHBJRZCI-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.23
Rot. Bonds3

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

methyl 4-ethyl-8-methoxy-3-oxo-1,4-benzoxazine-6-carboxylate (PubChem CID 10659332) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is methyl 4-ethyl-8-methoxy-3-oxo-1,4-benzoxazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-8-methoxy-3-oxo-1,4-benzoxazine-6-carboxylate
PubChem CID10659332
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Namemethyl 4-ethyl-8-methoxy-3-oxo-1,4-benzoxazine-6-carboxylate
SMILESCCN1C(=O)COc2c(OC)cc(C(=O)OC)cc21
InChIInChI=1S/C13H15NO5/c1-4-14-9-5-8(13(16)18-3)6-10(17-2)12(9)19-7-11(14)15/h5-6H,4,7H2,1-3H3
InChIKeyWPOFUZGHBJRZCI-UHFFFAOYSA-N
XLogP1.23
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-8-methoxy-3-oxo-1,4-benzoxazine-6-carboxylate?
The IUPAC name of methyl 4-ethyl-8-methoxy-3-oxo-1,4-benzoxazine-6-carboxylate (CID 10659332) is methyl 4-ethyl-8-methoxy-3-oxo-1,4-benzoxazine-6-carboxylate.
What is the SMILES notation for methyl 4-ethyl-8-methoxy-3-oxo-1,4-benzoxazine-6-carboxylate?
The canonical SMILES for methyl 4-ethyl-8-methoxy-3-oxo-1,4-benzoxazine-6-carboxylate is CCN1C(=O)COc2c(OC)cc(C(=O)OC)cc21.
What is the InChIKey of methyl 4-ethyl-8-methoxy-3-oxo-1,4-benzoxazine-6-carboxylate?
The InChIKey is WPOFUZGHBJRZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-4-14-9-5-8(13(16)18-3)6-10(17-2)12(9)19-7-11(14)15/h5-6H,4,7H2,1-3H3.
What are the key properties of methyl 4-ethyl-8-methoxy-3-oxo-1,4-benzoxazine-6-carboxylate?
methyl 4-ethyl-8-methoxy-3-oxo-1,4-benzoxazine-6-carboxylate has a molecular weight of 265.26 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-8-methoxy-3-oxo-1,4-benzoxazine-6-carboxylate is sourced from PubChem (CID 10659332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).