[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate

C26H25N3O5S — CID 46660744

IUPAC[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SMILESCc1nc(COc2cccc(C(=O)OCC(=O)N3c4ccccc4NC(=O)C34CCCC4)c2)cs1
InChIInChI=1S/C26H25N3O5S/c1-17-27-19(16-35-17)14-33-20-8-6-7-18(13-20)24(31)34-15-23(30)29-22-10-3-2-9-21(22)28-25(32)26(29)11-4-5-12-26/h2-3,6-10,13,16H,4-5,11-12,14-15H2,1H3,(H,28,32)
InChIKeyKCWODSRNLBKWQI-UHFFFAOYSA-N
MW491.57 g/mol
LogP4.49
Rot. Bonds6

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

[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate (PubChem CID 46660744) has the molecular formula C26H25N3O5S and a molecular weight of 491.57 g/mol. Its IUPAC name is [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
PubChem CID46660744
Molecular FormulaC26H25N3O5S
Molecular Weight491.57 g/mol
Exact Mass491.15
IUPAC Name[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SMILESCc1nc(COc2cccc(C(=O)OCC(=O)N3c4ccccc4NC(=O)C34CCCC4)c2)cs1
InChIInChI=1S/C26H25N3O5S/c1-17-27-19(16-35-17)14-33-20-8-6-7-18(13-20)24(31)34-15-23(30)29-22-10-3-2-9-21(22)28-25(32)26(29)11-4-5-12-26/h2-3,6-10,13,16H,4-5,11-12,14-15H2,1H3,(H,28,32)
InChIKeyKCWODSRNLBKWQI-UHFFFAOYSA-N
XLogP4.49
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 27730702
[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-sulfamoylthiophene-3-carboxylate
CID 55459441
4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-dihydroquinoxalin-2-one
CID 27018519
[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] 5,6-dichloropyridine-3-carboxylate
CID 46658405
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(2-amino-2-oxoethoxy)-3-methoxybenzoate
CID 55459608
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-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 55458273
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-(4-methylphenoxy)propanoate
CID 55458460
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 43034541
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 4-(diethylsulfamoyl)benzoate
CID 55458310

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
The IUPAC name of [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) is [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate.
What is the SMILES notation for [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
The canonical SMILES for [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate is Cc1nc(COc2cccc(C(=O)OCC(=O)N3c4ccccc4NC(=O)C34CCCC4)c2)cs1.
What is the InChIKey of [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
The InChIKey is KCWODSRNLBKWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5S/c1-17-27-19(16-35-17)14-33-20-8-6-7-18(13-20)24(31)34-15-23(30)29-22-10-3-2-9-21(22)28-25(32)26(29)11-4-5-12-26/h2-3,6-10,13,16H,4-5,11-12,14-15H2,1H3,(H,28,32).
What are the key properties of [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate has a molecular weight of 491.57 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 46660744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).