(3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one

C23H24N2O5 — CID 127049564

IUPAC(3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one
SMILESCOc1cc(/C=C2\C(=O)Nc3ccc(C)cc32)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C23H24N2O5/c1-15-3-5-19-17(11-15)18(23(27)24-19)12-16-4-6-20(21(13-16)28-2)30-14-22(26)25-7-9-29-10-8-25/h3-6,11-13H,7-10,14H2,1-2H3,(H,24,27)/b18-12-
InChIKeyPEFQQJONZSMIFM-PDGQHHTCSA-N
MW408.45 g/mol
LogP2.73
Rot. Bonds5

About (3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one

(3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one (PubChem CID 127049564) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is (3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one
PubChem CID127049564
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name(3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one
SMILESCOc1cc(/C=C2\C(=O)Nc3ccc(C)cc32)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C23H24N2O5/c1-15-3-5-19-17(11-15)18(23(27)24-19)12-16-4-6-20(21(13-16)28-2)30-14-22(26)25-7-9-29-10-8-25/h3-6,11-13H,7-10,14H2,1-2H3,(H,24,27)/b18-12-
InChIKeyPEFQQJONZSMIFM-PDGQHHTCSA-N
XLogP2.73
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.73
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'}

Analyze (3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one with MolForge

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Related Compounds

N-(2-ethoxyphenyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 4791241
N-(1-methyl-2-oxo-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl)-2-phenoxyacetamide
CID 16823178
1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-5-methyl-1H-indole-2,3-dione
CID 17582328
3,4-Dimethoxy-N-[4-(morpholine-4-carbonyl)-phenyl]-benzamide
CID 1134573
1-(3-Hydroxypropyl)-5-[2-[2-(2-methoxy-4-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
CID 123183788
5-[2-[2-(4-Ethyl-2-methoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
CID 123576734
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
2-(3-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 1339945
1-(4-butoxy-3-methoxybenzyl)-5-methyl-1H-indole-2,3-dione
CID 3541833
[2-(4-Acetylanilino)-2-oxoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 4288199

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one (CID 127049564) is (3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one is COc1cc(/C=C2\C(=O)Nc3ccc(C)cc32)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of (3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one?
The InChIKey is PEFQQJONZSMIFM-PDGQHHTCSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-15-3-5-19-17(11-15)18(23(27)24-19)12-16-4-6-20(21(13-16)28-2)30-14-22(26)25-7-9-29-10-8-25/h3-6,11-13H,7-10,14H2,1-2H3,(H,24,27)/b18-12-.
What are the key properties of (3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one?
(3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one has a molecular weight of 408.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one is sourced from PubChem (CID 127049564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).