3-hydroxy-3-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-1H-indol-2-one

C22H22N2O6 — CID 2915480

IUPAC3-hydroxy-3-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2ccccc21)c1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H22N2O6/c25-19(13-22(28)17-3-1-2-4-18(17)23-21(22)27)15-5-7-16(8-6-15)30-14-20(26)24-9-11-29-12-10-24/h1-8,28H,9-14H2,(H,23,27)
InChIKeySZPSVLDVUMFSSA-UHFFFAOYSA-N
MW410.43 g/mol
LogP1.34
Rot. Bonds6

About 3-hydroxy-3-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-1H-indol-2-one

3-hydroxy-3-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-1H-indol-2-one (PubChem CID 2915480) has the molecular formula C22H22N2O6 and a molecular weight of 410.43 g/mol. Its IUPAC name is 3-hydroxy-3-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-1H-indol-2-one
PubChem CID2915480
Molecular FormulaC22H22N2O6
Molecular Weight410.43 g/mol
Exact Mass410.15
IUPAC Name3-hydroxy-3-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2ccccc21)c1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H22N2O6/c25-19(13-22(28)17-3-1-2-4-18(17)23-21(22)27)15-5-7-16(8-6-15)30-14-20(26)24-9-11-29-12-10-24/h1-8,28H,9-14H2,(H,23,27)
InChIKeySZPSVLDVUMFSSA-UHFFFAOYSA-N
XLogP1.34
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-1H-indol-2-one (CID 2915480) is 3-hydroxy-3-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-1H-indol-2-one is O=C(CC1(O)C(=O)Nc2ccccc21)c1ccc(OCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 3-hydroxy-3-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-1H-indol-2-one?
The InChIKey is SZPSVLDVUMFSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6/c25-19(13-22(28)17-3-1-2-4-18(17)23-21(22)27)15-5-7-16(8-6-15)30-14-20(26)24-9-11-29-12-10-24/h1-8,28H,9-14H2,(H,23,27).
What are the key properties of 3-hydroxy-3-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-1H-indol-2-one?
3-hydroxy-3-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-1H-indol-2-one has a molecular weight of 410.43 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[2-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-oxoethyl]-1H-indol-2-one is sourced from PubChem (CID 2915480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).