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

C21H23N3O3 — CID 44604648

IUPAC3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one
SMILESCOc1ccc(/N=C2\C(=O)N(CCN3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C21H23N3O3/c1-26-17-8-6-16(7-9-17)22-20-18-4-2-3-5-19(18)24(21(20)25)11-10-23-12-14-27-15-13-23/h2-9H,10-15H2,1H3/b22-20-
InChIKeyOQOBDZXJFYQVAP-XDOYNYLZSA-N
MW365.43 g/mol
LogP2.49
Rot. Bonds5

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

3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one (PubChem CID 44604648) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one
PubChem CID44604648
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one
SMILESCOc1ccc(/N=C2\C(=O)N(CCN3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C21H23N3O3/c1-26-17-8-6-16(7-9-17)22-20-18-4-2-3-5-19(18)24(21(20)25)11-10-23-12-14-27-15-13-23/h2-9H,10-15H2,1H3/b22-20-
InChIKeyOQOBDZXJFYQVAP-XDOYNYLZSA-N
XLogP2.49
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.49
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-1-(2-morpholin-4-ylethyl)indol-2-one?
The IUPAC name of 3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one (CID 44604648) is 3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one.
What is the SMILES notation for 3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one?
The canonical SMILES for 3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one is COc1ccc(/N=C2\C(=O)N(CCN3CCOCC3)c3ccccc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one?
The InChIKey is OQOBDZXJFYQVAP-XDOYNYLZSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-26-17-8-6-16(7-9-17)22-20-18-4-2-3-5-19(18)24(21(20)25)11-10-23-12-14-27-15-13-23/h2-9H,10-15H2,1H3/b22-20-.
What are the key properties of 3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one?
3-(4-methoxyphenyl)imino-1-(2-morpholin-4-ylethyl)indol-2-one has a molecular weight of 365.43 g/mol, XLogP of 2.49, 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-1-(2-morpholin-4-ylethyl)indol-2-one is sourced from PubChem (CID 44604648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).