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

C14H16ClNO4 — CID 3241525

IUPACethyl 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate
SMILESCCOC(=O)CN1C(=O)C(CC)Oc2ccc(Cl)cc21
InChIInChI=1S/C14H16ClNO4/c1-3-11-14(18)16(8-13(17)19-4-2)10-7-9(15)5-6-12(10)20-11/h5-7,11H,3-4,8H2,1-2H3
InChIKeyCWXDZGLGGZBIGU-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.41
Rot. Bonds4

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

ethyl 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate (PubChem CID 3241525) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is ethyl 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate
PubChem CID3241525
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Nameethyl 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate
SMILESCCOC(=O)CN1C(=O)C(CC)Oc2ccc(Cl)cc21
InChIInChI=1S/C14H16ClNO4/c1-3-11-14(18)16(8-13(17)19-4-2)10-7-9(15)5-6-12(10)20-11/h5-7,11H,3-4,8H2,1-2H3
InChIKeyCWXDZGLGGZBIGU-UHFFFAOYSA-N
XLogP2.41
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate?
The IUPAC name of ethyl 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate (CID 3241525) is ethyl 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate?
The canonical SMILES for ethyl 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate is CCOC(=O)CN1C(=O)C(CC)Oc2ccc(Cl)cc21.
What is the InChIKey of ethyl 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate?
The InChIKey is CWXDZGLGGZBIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c1-3-11-14(18)16(8-13(17)19-4-2)10-7-9(15)5-6-12(10)20-11/h5-7,11H,3-4,8H2,1-2H3.
What are the key properties of ethyl 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate?
ethyl 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate has a molecular weight of 297.74 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetate is sourced from PubChem (CID 3241525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).