2',2'-dimethyl-7'-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]spiro[1H-indole-3,4'-3H-chromene]-2-one

C23H24N2O5 — CID 56967113

IUPAC2',2'-dimethyl-7'-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]spiro[1H-indole-3,4'-3H-chromene]-2-one
SMILESCC1(C)CC2(C(=O)Nc3ccccc32)c2ccc(OCCN3CCOC3=O)cc2O1
InChIInChI=1S/C23H24N2O5/c1-22(2)14-23(16-5-3-4-6-18(16)24-20(23)26)17-8-7-15(13-19(17)30-22)28-11-9-25-10-12-29-21(25)27/h3-8,13H,9-12,14H2,1-2H3,(H,24,26)
InChIKeyAMVWVTGNMDYUSM-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.32
Rot. Bonds4

About 2',2'-dimethyl-7'-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]spiro[1H-indole-3,4'-3H-chromene]-2-one

2',2'-dimethyl-7'-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]spiro[1H-indole-3,4'-3H-chromene]-2-one (PubChem CID 56967113) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 2',2'-dimethyl-7'-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]spiro[1H-indole-3,4'-3H-chromene]-2-one.

Molecular Properties

Compound Name2',2'-dimethyl-7'-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]spiro[1H-indole-3,4'-3H-chromene]-2-one
PubChem CID56967113
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name2',2'-dimethyl-7'-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]spiro[1H-indole-3,4'-3H-chromene]-2-one
SMILESCC1(C)CC2(C(=O)Nc3ccccc32)c2ccc(OCCN3CCOC3=O)cc2O1
InChIInChI=1S/C23H24N2O5/c1-22(2)14-23(16-5-3-4-6-18(16)24-20(23)26)17-8-7-15(13-19(17)30-22)28-11-9-25-10-12-29-21(25)27/h3-8,13H,9-12,14H2,1-2H3,(H,24,26)
InChIKeyAMVWVTGNMDYUSM-UHFFFAOYSA-N
XLogP3.32
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2',2'-dimethyl-7'-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]spiro[1H-indole-3,4'-3H-chromene]-2-one?
The IUPAC name of 2',2'-dimethyl-7'-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]spiro[1H-indole-3,4'-3H-chromene]-2-one (CID 56967113) is 2',2'-dimethyl-7'-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]spiro[1H-indole-3,4'-3H-chromene]-2-one.
What is the SMILES notation for 2',2'-dimethyl-7'-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]spiro[1H-indole-3,4'-3H-chromene]-2-one?
The canonical SMILES for 2',2'-dimethyl-7'-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]spiro[1H-indole-3,4'-3H-chromene]-2-one is CC1(C)CC2(C(=O)Nc3ccccc32)c2ccc(OCCN3CCOC3=O)cc2O1.
What is the InChIKey of 2',2'-dimethyl-7'-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]spiro[1H-indole-3,4'-3H-chromene]-2-one?
The InChIKey is AMVWVTGNMDYUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-22(2)14-23(16-5-3-4-6-18(16)24-20(23)26)17-8-7-15(13-19(17)30-22)28-11-9-25-10-12-29-21(25)27/h3-8,13H,9-12,14H2,1-2H3,(H,24,26).
What are the key properties of 2',2'-dimethyl-7'-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]spiro[1H-indole-3,4'-3H-chromene]-2-one?
2',2'-dimethyl-7'-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]spiro[1H-indole-3,4'-3H-chromene]-2-one has a molecular weight of 408.45 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2',2'-dimethyl-7'-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]spiro[1H-indole-3,4'-3H-chromene]-2-one is sourced from PubChem (CID 56967113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).