3-[(2,5-dimethoxyphenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one

C22H24N2O4 — CID 91050596

IUPAC3-[(2,5-dimethoxyphenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one
SMILESCOc1ccc(OC)c(C=C2C(=O)N(CN3CCOCC3)c3ccccc32)c1
InChIInChI=1S/C22H24N2O4/c1-26-17-7-8-21(27-2)16(13-17)14-19-18-5-3-4-6-20(18)24(22(19)25)15-23-9-11-28-12-10-23/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyJRFMTVUGDVMUQU-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.88
Rot. Bonds5

About 3-[(2,5-dimethoxyphenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one

3-[(2,5-dimethoxyphenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one (PubChem CID 91050596) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-[(2,5-dimethoxyphenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one.

Molecular Properties

Compound Name3-[(2,5-dimethoxyphenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one
PubChem CID91050596
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name3-[(2,5-dimethoxyphenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one
SMILESCOc1ccc(OC)c(C=C2C(=O)N(CN3CCOCC3)c3ccccc32)c1
InChIInChI=1S/C22H24N2O4/c1-26-17-7-8-21(27-2)16(13-17)14-19-18-5-3-4-6-20(18)24(22(19)25)15-23-9-11-28-12-10-23/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyJRFMTVUGDVMUQU-UHFFFAOYSA-N
XLogP2.88
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-1-ethylindol-2-one
CID 126120168
(3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126141856
(3Z)-3-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-1-propylindol-2-one
CID 126125874
3-[(N-morpholin-4-ylanilino)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one
CID 91110421
(5E)-5-[(2-methoxyphenyl)methylidene]-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 1204596
(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1-(2-morpholin-4-ylethyl)indol-2-one
CID 11638882
(3Z)-3-[(4,5-dimethoxy-2-methylphenyl)methylidene]-1-ethylindol-2-one
CID 126119662
(3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one
CID 58795351
3-[(5-bromo-2-methoxyphenyl)methylidene]-1-methylindol-2-one
CID 3496594
(3E)-3-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1-ethylindol-2-one
CID 126202963
5-[(2,5-dimethoxyphenyl)methylidene]-3-morpholin-4-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4763598
(3Z)-3-[(4-bromothiophen-2-yl)methylidene]-1-(2-morpholin-4-ylethyl)indol-2-one
CID 11589808

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethoxyphenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one?
The IUPAC name of 3-[(2,5-dimethoxyphenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one (CID 91050596) is 3-[(2,5-dimethoxyphenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one.
What is the SMILES notation for 3-[(2,5-dimethoxyphenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one?
The canonical SMILES for 3-[(2,5-dimethoxyphenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one is COc1ccc(OC)c(C=C2C(=O)N(CN3CCOCC3)c3ccccc32)c1.
What is the InChIKey of 3-[(2,5-dimethoxyphenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one?
The InChIKey is JRFMTVUGDVMUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-26-17-7-8-21(27-2)16(13-17)14-19-18-5-3-4-6-20(18)24(22(19)25)15-23-9-11-28-12-10-23/h3-8,13-14H,9-12,15H2,1-2H3.
What are the key properties of 3-[(2,5-dimethoxyphenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one?
3-[(2,5-dimethoxyphenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one has a molecular weight of 380.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethoxyphenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one is sourced from PubChem (CID 91050596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).