methyl 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetate

C11H10ClNO4 — CID 3163338

IUPACmethyl 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetate
SMILESCOC(=O)CN1C(=O)COc2ccc(Cl)cc21
InChIInChI=1S/C11H10ClNO4/c1-16-11(15)5-13-8-4-7(12)2-3-9(8)17-6-10(13)14/h2-4H,5-6H2,1H3
InChIKeySLOPGXMYCAATKU-UHFFFAOYSA-N
MW255.66 g/mol
LogP1.24
Rot. Bonds2

About methyl 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetate

methyl 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetate (PubChem CID 3163338) has the molecular formula C11H10ClNO4 and a molecular weight of 255.66 g/mol. Its IUPAC name is methyl 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetate
PubChem CID3163338
Molecular FormulaC11H10ClNO4
Molecular Weight255.66 g/mol
Exact Mass255.03
IUPAC Namemethyl 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetate
SMILESCOC(=O)CN1C(=O)COc2ccc(Cl)cc21
InChIInChI=1S/C11H10ClNO4/c1-16-11(15)5-13-8-4-7(12)2-3-9(8)17-6-10(13)14/h2-4H,5-6H2,1H3
InChIKeySLOPGXMYCAATKU-UHFFFAOYSA-N
XLogP1.24
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetate?
The IUPAC name of methyl 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetate (CID 3163338) is methyl 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetate.
What is the SMILES notation for methyl 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetate?
The canonical SMILES for methyl 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetate is COC(=O)CN1C(=O)COc2ccc(Cl)cc21.
What is the InChIKey of methyl 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetate?
The InChIKey is SLOPGXMYCAATKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO4/c1-16-11(15)5-13-8-4-7(12)2-3-9(8)17-6-10(13)14/h2-4H,5-6H2,1H3.
What are the key properties of methyl 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetate?
methyl 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetate has a molecular weight of 255.66 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetate is sourced from PubChem (CID 3163338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).