[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate

C18H20N2O6 — CID 7796783

IUPAC[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate
SMILESO=C1COc2ccc(C(=O)COC(=O)CN3CCCCCC3=O)cc2N1
InChIInChI=1S/C18H20N2O6/c21-14(12-5-6-15-13(8-12)19-16(22)11-25-15)10-26-18(24)9-20-7-3-1-2-4-17(20)23/h5-6,8H,1-4,7,9-11H2,(H,19,22)
InChIKeyQBMNSOPTHIGIOV-UHFFFAOYSA-N
MW360.37 g/mol
LogP1.15
Rot. Bonds5

About [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate

[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate (PubChem CID 7796783) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate
PubChem CID7796783
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Name[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate
SMILESO=C1COc2ccc(C(=O)COC(=O)CN3CCCCCC3=O)cc2N1
InChIInChI=1S/C18H20N2O6/c21-14(12-5-6-15-13(8-12)19-16(22)11-25-15)10-26-18(24)9-20-7-3-1-2-4-17(20)23/h5-6,8H,1-4,7,9-11H2,(H,19,22)
InChIKeyQBMNSOPTHIGIOV-UHFFFAOYSA-N
XLogP1.15
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate with MolForge

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Launch Full Analysis

Related Compounds

6-(2-aminooxyacetyl)-4H-1,4-benzoxazin-3-one
CID 83967692
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3-cyclohexylpropanoate
CID 8815801
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(benzotriazol-1-yl)acetate
CID 4104850
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667735
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-phenylphenyl)acetate
CID 23934910
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-fluorophenyl)acetate
CID 3979894
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-ethylphenoxy)acetate
CID 2370662
1-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-piperidin-1-ylbutane-1,4-dione
CID 110344918
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-ethoxyphenyl)acetate
CID 22830641
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 3552776
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-chlorobenzoate
CID 2409679
6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one
CID 68979581

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate?
The IUPAC name of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate (CID 7796783) is [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate.
What is the SMILES notation for [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate?
The canonical SMILES for [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate is O=C1COc2ccc(C(=O)COC(=O)CN3CCCCCC3=O)cc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate?
The InChIKey is QBMNSOPTHIGIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c21-14(12-5-6-15-13(8-12)19-16(22)11-25-15)10-26-18(24)9-20-7-3-1-2-4-17(20)23/h5-6,8H,1-4,7,9-11H2,(H,19,22).
What are the key properties of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate?
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate has a molecular weight of 360.37 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate is sourced from PubChem (CID 7796783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).