(3E)-5-chloro-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one

C21H21ClN2O3 — CID 71531360

IUPAC(3E)-5-chloro-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C21H21ClN2O3/c22-16-3-6-20-18(14-16)19(21(25)23-20)13-15-1-4-17(5-2-15)27-12-9-24-7-10-26-11-8-24/h1-6,13-14H,7-12H2,(H,23,25)/b19-13+
InChIKeyGYYJOGKYMRDFFT-CPNJWEJPSA-N
MW384.86 g/mol
LogP3.54
Rot. Bonds5

About (3E)-5-chloro-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one

(3E)-5-chloro-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one (PubChem CID 71531360) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is (3E)-5-chloro-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-chloro-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one
PubChem CID71531360
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name(3E)-5-chloro-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C21H21ClN2O3/c22-16-3-6-20-18(14-16)19(21(25)23-20)13-15-1-4-17(5-2-15)27-12-9-24-7-10-26-11-8-24/h1-6,13-14H,7-12H2,(H,23,25)/b19-13+
InChIKeyGYYJOGKYMRDFFT-CPNJWEJPSA-N
XLogP3.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.54
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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Frequently Asked Questions

What is the IUPAC name of (3E)-5-chloro-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-chloro-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one (CID 71531360) is (3E)-5-chloro-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-chloro-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-chloro-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of (3E)-5-chloro-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one?
The InChIKey is GYYJOGKYMRDFFT-CPNJWEJPSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c22-16-3-6-20-18(14-16)19(21(25)23-20)13-15-1-4-17(5-2-15)27-12-9-24-7-10-26-11-8-24/h1-6,13-14H,7-12H2,(H,23,25)/b19-13+.
What are the key properties of (3E)-5-chloro-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one?
(3E)-5-chloro-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one has a molecular weight of 384.86 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-chloro-3-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 71531360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).