3-(4-methoxyphenyl)imino-5-methyl-1-(2-morpholin-4-ylethyl)indol-2-one

C22H25N3O3 — CID 44604650

IUPAC3-(4-methoxyphenyl)imino-5-methyl-1-(2-morpholin-4-ylethyl)indol-2-one
SMILESCOc1ccc(/N=C2\C(=O)N(CCN3CCOCC3)c3ccc(C)cc32)cc1
InChIInChI=1S/C22H25N3O3/c1-16-3-8-20-19(15-16)21(23-17-4-6-18(27-2)7-5-17)22(26)25(20)10-9-24-11-13-28-14-12-24/h3-8,15H,9-14H2,1-2H3/b23-21-
InChIKeyZAFXHGRNEHGMNH-LNVKXUELSA-N
MW379.46 g/mol
LogP2.80
Rot. Bonds5

About 3-(4-methoxyphenyl)imino-5-methyl-1-(2-morpholin-4-ylethyl)indol-2-one

3-(4-methoxyphenyl)imino-5-methyl-1-(2-morpholin-4-ylethyl)indol-2-one (PubChem CID 44604650) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)imino-5-methyl-1-(2-morpholin-4-ylethyl)indol-2-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)imino-5-methyl-1-(2-morpholin-4-ylethyl)indol-2-one
PubChem CID44604650
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-(4-methoxyphenyl)imino-5-methyl-1-(2-morpholin-4-ylethyl)indol-2-one
SMILESCOc1ccc(/N=C2\C(=O)N(CCN3CCOCC3)c3ccc(C)cc32)cc1
InChIInChI=1S/C22H25N3O3/c1-16-3-8-20-19(15-16)21(23-17-4-6-18(27-2)7-5-17)22(26)25(20)10-9-24-11-13-28-14-12-24/h3-8,15H,9-14H2,1-2H3/b23-21-
InChIKeyZAFXHGRNEHGMNH-LNVKXUELSA-N
XLogP2.80
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)imino-5-methyl-1-(2-morpholin-4-ylethyl)indol-2-one?
The IUPAC name of 3-(4-methoxyphenyl)imino-5-methyl-1-(2-morpholin-4-ylethyl)indol-2-one (CID 44604650) is 3-(4-methoxyphenyl)imino-5-methyl-1-(2-morpholin-4-ylethyl)indol-2-one.
What is the SMILES notation for 3-(4-methoxyphenyl)imino-5-methyl-1-(2-morpholin-4-ylethyl)indol-2-one?
The canonical SMILES for 3-(4-methoxyphenyl)imino-5-methyl-1-(2-morpholin-4-ylethyl)indol-2-one is COc1ccc(/N=C2\C(=O)N(CCN3CCOCC3)c3ccc(C)cc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)imino-5-methyl-1-(2-morpholin-4-ylethyl)indol-2-one?
The InChIKey is ZAFXHGRNEHGMNH-LNVKXUELSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16-3-8-20-19(15-16)21(23-17-4-6-18(27-2)7-5-17)22(26)25(20)10-9-24-11-13-28-14-12-24/h3-8,15H,9-14H2,1-2H3/b23-21-.
What are the key properties of 3-(4-methoxyphenyl)imino-5-methyl-1-(2-morpholin-4-ylethyl)indol-2-one?
3-(4-methoxyphenyl)imino-5-methyl-1-(2-morpholin-4-ylethyl)indol-2-one has a molecular weight of 379.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)imino-5-methyl-1-(2-morpholin-4-ylethyl)indol-2-one is sourced from PubChem (CID 44604650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).