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

C26H22N2O4 — CID 127048264

IUPAC(3Z)-3-[[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one
SMILESCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C26H22N2O4/c1-31-24-15-17(14-20-19-7-3-4-8-21(19)27-26(20)30)10-11-23(24)32-16-25(29)28-13-12-18-6-2-5-9-22(18)28/h2-11,14-15H,12-13,16H2,1H3,(H,27,30)/b20-14-
InChIKeyWASLAAAVEUSMKE-ZHZULCJRSA-N
MW426.47 g/mol
LogP4.16
Rot. Bonds5

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

(3Z)-3-[[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one (PubChem CID 127048264) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is (3Z)-3-[[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one
PubChem CID127048264
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Name(3Z)-3-[[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one
SMILESCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCC(=O)N1CCc2ccccc21
InChIInChI=1S/C26H22N2O4/c1-31-24-15-17(14-20-19-7-3-4-8-21(19)27-26(20)30)10-11-23(24)32-16-25(29)28-13-12-18-6-2-5-9-22(18)28/h2-11,14-15H,12-13,16H2,1H3,(H,27,30)/b20-14-
InChIKeyWASLAAAVEUSMKE-ZHZULCJRSA-N
XLogP4.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2558401
2-(2-methoxyphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1076437
N-[3-(diethylamino)propyl]-3-methoxy-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide
CID 3926665
N-[1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 4881605
N-(3-acetylphenyl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 4884523
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 6619429
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 7446646
N-[(1E)-3-(2,3-dihydro-1H-indol-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 7660358
2-{[2-(3,4-Diethoxyphenyl)ethyl]amino}-2-oxoethyl 3-(dimethylamino)benzoate
CID 7667046
N-{[1-(4-Fluorobenzoyl)-2,3-dihydro-1H-indol-5-YL]methyl}-2-phenoxyacetamide
CID 16033233

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one (CID 127048264) is (3Z)-3-[[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one is COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCC(=O)N1CCc2ccccc21.
What is the InChIKey of (3Z)-3-[[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one?
The InChIKey is WASLAAAVEUSMKE-ZHZULCJRSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-31-24-15-17(14-20-19-7-3-4-8-21(19)27-26(20)30)10-11-23(24)32-16-25(29)28-13-12-18-6-2-5-9-22(18)28/h2-11,14-15H,12-13,16H2,1H3,(H,27,30)/b20-14-.
What are the key properties of (3Z)-3-[[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one?
(3Z)-3-[[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one has a molecular weight of 426.47 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 127048264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).