(3E)-3-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one

C23H24N2O5 — CID 2542406

IUPAC(3E)-3-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one
SMILESCCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C23H24N2O5/c1-2-29-21-14-16(13-18-17-5-3-4-6-19(17)24-23(18)27)7-8-20(21)30-15-22(26)25-9-11-28-12-10-25/h3-8,13-14H,2,9-12,15H2,1H3,(H,24,27)/b18-13+
InChIKeyBIPBGCVRYVWKHT-QGOAFFKASA-N
MW408.45 g/mol
LogP2.82
Rot. Bonds6

About (3E)-3-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one

(3E)-3-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one (PubChem CID 2542406) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is (3E)-3-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one
PubChem CID2542406
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name(3E)-3-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one
SMILESCCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C23H24N2O5/c1-2-29-21-14-16(13-18-17-5-3-4-6-19(17)24-23(18)27)7-8-20(21)30-15-22(26)25-9-11-28-12-10-25/h3-8,13-14H,2,9-12,15H2,1H3,(H,24,27)/b18-13+
InChIKeyBIPBGCVRYVWKHT-QGOAFFKASA-N
XLogP2.82
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.82
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

(5Z)-5-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 126215902
(3E)-6-chloro-3-[[3-ethoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one
CID 21370138
5-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 4906451
2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 91689789
(3E)-3-[[4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl]methylidene]-1H-indol-2-one
CID 126200954
2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide
CID 964213
3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 5169130
(Z)-2-cyano-3-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enamide
CID 7276228
ethyl 2-[2-chloro-4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetate
CID 126117601
2-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]propanedinitrile
CID 1075423
(3Z)-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one
CID 127052570
2-[2-ethoxy-4-[(E)-2-nitroethenyl]phenoxy]-1-morpholin-4-ylethanone
CID 954014

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one (CID 2542406) is (3E)-3-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one is CCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of (3E)-3-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one?
The InChIKey is BIPBGCVRYVWKHT-QGOAFFKASA-N. The full InChI is InChI=1S/C23H24N2O5/c1-2-29-21-14-16(13-18-17-5-3-4-6-19(17)24-23(18)27)7-8-20(21)30-15-22(26)25-9-11-28-12-10-25/h3-8,13-14H,2,9-12,15H2,1H3,(H,24,27)/b18-13+.
What are the key properties of (3E)-3-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one?
(3E)-3-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one has a molecular weight of 408.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 2542406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).