[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate

C24H24N6O4 — CID 55460093

IUPAC[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
SMILESCc1ccc(-c2nnn(CC(=O)OCC(=O)N3c4ccccc4NC(=O)C34CCCC4)n2)cc1
InChIInChI=1S/C24H24N6O4/c1-16-8-10-17(11-9-16)22-26-28-29(27-22)14-21(32)34-15-20(31)30-19-7-3-2-6-18(19)25-23(33)24(30)12-4-5-13-24/h2-3,6-11H,4-5,12-15H2,1H3,(H,25,33)
InChIKeyPFSGXBHNNJFUPT-UHFFFAOYSA-N
MW460.49 g/mol
LogP2.49
Rot. Bonds5

About [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate

[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate (PubChem CID 55460093) has the molecular formula C24H24N6O4 and a molecular weight of 460.49 g/mol. Its IUPAC name is [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
PubChem CID55460093
Molecular FormulaC24H24N6O4
Molecular Weight460.49 g/mol
Exact Mass460.19
IUPAC Name[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
SMILESCc1ccc(-c2nnn(CC(=O)OCC(=O)N3c4ccccc4NC(=O)C34CCCC4)n2)cc1
InChIInChI=1S/C24H24N6O4/c1-16-8-10-17(11-9-16)22-26-28-29(27-22)14-21(32)34-15-20(31)30-19-7-3-2-6-18(19)25-23(33)24(30)12-4-5-13-24/h2-3,6-11H,4-5,12-15H2,1H3,(H,25,33)
InChIKeyPFSGXBHNNJFUPT-UHFFFAOYSA-N
XLogP2.49
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate?
The IUPAC name of [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate (CID 55460093) is [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate.
What is the SMILES notation for [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate?
The canonical SMILES for [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate is Cc1ccc(-c2nnn(CC(=O)OCC(=O)N3c4ccccc4NC(=O)C34CCCC4)n2)cc1.
What is the InChIKey of [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate?
The InChIKey is PFSGXBHNNJFUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4/c1-16-8-10-17(11-9-16)22-26-28-29(27-22)14-21(32)34-15-20(31)30-19-7-3-2-6-18(19)25-23(33)24(30)12-4-5-13-24/h2-3,6-11H,4-5,12-15H2,1H3,(H,25,33).
What are the key properties of [2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate?
[2-oxo-2-(3-oxospiro[4H-quinoxaline-2,1'-cyclopentane]-1-yl)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate has a molecular weight of 460.49 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate is sourced from PubChem (CID 55460093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).