[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-methoxy-4-propan-2-yloxybenzoate

C25H28N2O6 — CID 46658050

IUPAC[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-methoxy-4-propan-2-yloxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C23CCCC3)ccc1OC(C)C
InChIInChI=1S/C25H28N2O6/c1-16(2)33-20-11-10-17(14-21(20)31-3)23(29)32-15-22(28)27-19-9-5-4-8-18(19)26-24(30)25(27)12-6-7-13-25/h4-5,8-11,14,16H,6-7,12-13,15H2,1-3H3,(H,26,30)
InChIKeyYMWCGNVCKPPGBW-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.94
Rot. Bonds6

About [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-methoxy-4-propan-2-yloxybenzoate

[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-methoxy-4-propan-2-yloxybenzoate (PubChem CID 46658050) has the molecular formula C25H28N2O6 and a molecular weight of 452.51 g/mol. Its IUPAC name is [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-methoxy-4-propan-2-yloxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-methoxy-4-propan-2-yloxybenzoate
PubChem CID46658050
Molecular FormulaC25H28N2O6
Molecular Weight452.51 g/mol
Exact Mass452.19
IUPAC Name[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-methoxy-4-propan-2-yloxybenzoate
SMILESCOc1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C23CCCC3)ccc1OC(C)C
InChIInChI=1S/C25H28N2O6/c1-16(2)33-20-11-10-17(14-21(20)31-3)23(29)32-15-22(28)27-19-9-5-4-8-18(19)26-24(30)25(27)12-6-7-13-25/h4-5,8-11,14,16H,6-7,12-13,15H2,1-3H3,(H,26,30)
InChIKeyYMWCGNVCKPPGBW-UHFFFAOYSA-N
XLogP3.94
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(2-amino-2-oxoethoxy)-3-methoxybenzoate
CID 55459608
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3,4-dichlorobenzoate
CID 55458590
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 55458273
1-O-methyl 2-O-[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] benzene-1,2-dicarboxylate
CID 56505639
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 5,6-dichloropyridine-3-carboxylate
CID 46658405
1-O-methyl 3-O-[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 5-nitrobenzene-1,3-dicarboxylate
CID 55459255
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-(difluoromethoxy)benzoate
CID 46658647
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(diethylsulfamoyl)benzoate
CID 55458310
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-(4-propanoylphenoxy)acetate
CID 55458531
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 5-methylthiophene-2-carboxylate
CID 55458377
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 46660744
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 5-sulfamoylthiophene-3-carboxylate
CID 55459441

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-methoxy-4-propan-2-yloxybenzoate?
The IUPAC name of [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-methoxy-4-propan-2-yloxybenzoate (CID 46658050) is [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-methoxy-4-propan-2-yloxybenzoate.
What is the SMILES notation for [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-methoxy-4-propan-2-yloxybenzoate?
The canonical SMILES for [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-methoxy-4-propan-2-yloxybenzoate is COc1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C23CCCC3)ccc1OC(C)C.
What is the InChIKey of [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-methoxy-4-propan-2-yloxybenzoate?
The InChIKey is YMWCGNVCKPPGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6/c1-16(2)33-20-11-10-17(14-21(20)31-3)23(29)32-15-22(28)27-19-9-5-4-8-18(19)26-24(30)25(27)12-6-7-13-25/h4-5,8-11,14,16H,6-7,12-13,15H2,1-3H3,(H,26,30).
What are the key properties of [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-methoxy-4-propan-2-yloxybenzoate?
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-methoxy-4-propan-2-yloxybenzoate has a molecular weight of 452.51 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-methoxy-4-propan-2-yloxybenzoate is sourced from PubChem (CID 46658050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).