(3Z)-5-chloro-3-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one

C19H19ClN2O2 — CID 71459621

IUPAC(3Z)-5-chloro-3-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one
SMILESCN(C)CCOc1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C19H19ClN2O2/c1-22(2)9-10-24-15-6-3-13(4-7-15)11-17-16-12-14(20)5-8-18(16)21-19(17)23/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)/b17-11-
InChIKeyQDQHDIGFEWFDGQ-BOPFTXTBSA-N
MW342.83 g/mol
LogP3.77
Rot. Bonds5

About (3Z)-5-chloro-3-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one

(3Z)-5-chloro-3-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one (PubChem CID 71459621) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is (3Z)-5-chloro-3-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-chloro-3-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one
PubChem CID71459621
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name(3Z)-5-chloro-3-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one
SMILESCN(C)CCOc1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C19H19ClN2O2/c1-22(2)9-10-24-15-6-3-13(4-7-15)11-17-16-12-14(20)5-8-18(16)21-19(17)23/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)/b17-11-
InChIKeyQDQHDIGFEWFDGQ-BOPFTXTBSA-N
XLogP3.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3Z)-5-chloro-3-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-chloro-3-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one (CID 71459621) is (3Z)-5-chloro-3-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-chloro-3-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-chloro-3-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one is CN(C)CCOc1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1.
What is the InChIKey of (3Z)-5-chloro-3-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one?
The InChIKey is QDQHDIGFEWFDGQ-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-22(2)9-10-24-15-6-3-13(4-7-15)11-17-16-12-14(20)5-8-18(16)21-19(17)23/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)/b17-11-.
What are the key properties of (3Z)-5-chloro-3-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one?
(3Z)-5-chloro-3-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one has a molecular weight of 342.83 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-chloro-3-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 71459621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).