(3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one

C24H26N2O5 — CID 127048265

IUPAC(3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one
SMILESCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C24H26N2O5/c1-15-12-26(13-16(2)31-15)23(27)14-30-21-9-8-17(11-22(21)29-3)10-19-18-6-4-5-7-20(18)25-24(19)28/h4-11,15-16H,12-14H2,1-3H3,(H,25,28)/b19-10-
InChIKeyAFYJRHVINZCPBI-GRSHGNNSSA-N
MW422.48 g/mol
LogP3.20
Rot. Bonds5

About (3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one

(3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one (PubChem CID 127048265) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is (3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one
PubChem CID127048265
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name(3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one
SMILESCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C24H26N2O5/c1-15-12-26(13-16(2)31-15)23(27)14-30-21-9-8-17(11-22(21)29-3)10-19-18-6-4-5-7-20(18)25-24(19)28/h4-11,15-16H,12-14H2,1-3H3,(H,25,28)/b19-10-
InChIKeyAFYJRHVINZCPBI-GRSHGNNSSA-N
XLogP3.20
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
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

(3,4-Diethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 776356
N-(2-ethoxyphenyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 4791241
1-[2-(2-Methoxyphenoxy)propanoyl]indoline
CID 4943179
1-(3-fluoro-4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 10003368
1-(3-fluorophenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 10454231
1-(4-methoxyphenyl)-4-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 10477339
N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2558401
2-(3,4-dimethoxyphenyl)-N-[2-(4-morpholinylcarbonyl)phenyl]acetamide
CID 991553
2-(2-methoxyphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1076437
1-(3,4-dimethoxybenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 1079976
2-(3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 1339945
N-ethyl-4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 2573158

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one (CID 127048265) is (3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one is COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCC(=O)N1CC(C)OC(C)C1.
What is the InChIKey of (3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one?
The InChIKey is AFYJRHVINZCPBI-GRSHGNNSSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-15-12-26(13-16(2)31-15)23(27)14-30-21-9-8-17(11-22(21)29-3)10-19-18-6-4-5-7-20(18)25-24(19)28/h4-11,15-16H,12-14H2,1-3H3,(H,25,28)/b19-10-.
What are the key properties of (3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one?
(3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one has a molecular weight of 422.48 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 127048265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).