5-[[4-[4-[(2-oxo-3,6-dihydro-1H-indol-5-ylidene)methyl]phenoxy]phenyl]methyl]morpholin-3-one

C26H24N2O4 — CID 69246241

IUPAC5-[[4-[4-[(2-oxo-3,6-dihydro-1H-indol-5-ylidene)methyl]phenoxy]phenyl]methyl]morpholin-3-one
SMILESO=C1CC2=CC(=Cc3ccc(Oc4ccc(CC5COCC(=O)N5)cc4)cc3)CC=C2N1
InChIInChI=1S/C26H24N2O4/c29-25-14-20-12-19(5-10-24(20)28-25)11-17-1-6-22(7-2-17)32-23-8-3-18(4-9-23)13-21-15-31-16-26(30)27-21/h1-4,6-12,21H,5,13-16H2,(H,27,30)(H,28,29)
InChIKeyHHQQMLLNINSPTR-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.65
Rot. Bonds5

About 5-[[4-[4-[(2-oxo-3,6-dihydro-1H-indol-5-ylidene)methyl]phenoxy]phenyl]methyl]morpholin-3-one

5-[[4-[4-[(2-oxo-3,6-dihydro-1H-indol-5-ylidene)methyl]phenoxy]phenyl]methyl]morpholin-3-one (PubChem CID 69246241) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 5-[[4-[4-[(2-oxo-3,6-dihydro-1H-indol-5-ylidene)methyl]phenoxy]phenyl]methyl]morpholin-3-one.

Molecular Properties

Compound Name5-[[4-[4-[(2-oxo-3,6-dihydro-1H-indol-5-ylidene)methyl]phenoxy]phenyl]methyl]morpholin-3-one
PubChem CID69246241
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name5-[[4-[4-[(2-oxo-3,6-dihydro-1H-indol-5-ylidene)methyl]phenoxy]phenyl]methyl]morpholin-3-one
SMILESO=C1CC2=CC(=Cc3ccc(Oc4ccc(CC5COCC(=O)N5)cc4)cc3)CC=C2N1
InChIInChI=1S/C26H24N2O4/c29-25-14-20-12-19(5-10-24(20)28-25)11-17-1-6-22(7-2-17)32-23-8-3-18(4-9-23)13-21-15-31-16-26(30)27-21/h1-4,6-12,21H,5,13-16H2,(H,27,30)(H,28,29)
InChIKeyHHQQMLLNINSPTR-UHFFFAOYSA-N
XLogP3.65
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-[(2-oxo-3,6-dihydro-1H-indol-5-ylidene)methyl]phenoxy]phenyl]methyl]morpholin-3-one?
The IUPAC name of 5-[[4-[4-[(2-oxo-3,6-dihydro-1H-indol-5-ylidene)methyl]phenoxy]phenyl]methyl]morpholin-3-one (CID 69246241) is 5-[[4-[4-[(2-oxo-3,6-dihydro-1H-indol-5-ylidene)methyl]phenoxy]phenyl]methyl]morpholin-3-one.
What is the SMILES notation for 5-[[4-[4-[(2-oxo-3,6-dihydro-1H-indol-5-ylidene)methyl]phenoxy]phenyl]methyl]morpholin-3-one?
The canonical SMILES for 5-[[4-[4-[(2-oxo-3,6-dihydro-1H-indol-5-ylidene)methyl]phenoxy]phenyl]methyl]morpholin-3-one is O=C1CC2=CC(=Cc3ccc(Oc4ccc(CC5COCC(=O)N5)cc4)cc3)CC=C2N1.
What is the InChIKey of 5-[[4-[4-[(2-oxo-3,6-dihydro-1H-indol-5-ylidene)methyl]phenoxy]phenyl]methyl]morpholin-3-one?
The InChIKey is HHQQMLLNINSPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c29-25-14-20-12-19(5-10-24(20)28-25)11-17-1-6-22(7-2-17)32-23-8-3-18(4-9-23)13-21-15-31-16-26(30)27-21/h1-4,6-12,21H,5,13-16H2,(H,27,30)(H,28,29).
What are the key properties of 5-[[4-[4-[(2-oxo-3,6-dihydro-1H-indol-5-ylidene)methyl]phenoxy]phenyl]methyl]morpholin-3-one?
5-[[4-[4-[(2-oxo-3,6-dihydro-1H-indol-5-ylidene)methyl]phenoxy]phenyl]methyl]morpholin-3-one has a molecular weight of 428.49 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-[(2-oxo-3,6-dihydro-1H-indol-5-ylidene)methyl]phenoxy]phenyl]methyl]morpholin-3-one is sourced from PubChem (CID 69246241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).