(3Z)-4-methyl-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one

C20H20N2O2 — CID 10663503

IUPAC(3Z)-4-methyl-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one
SMILESCc1cccc2c1/C(=C/c1ccc(N3CCOCC3)cc1)C(=O)N2
InChIInChI=1S/C20H20N2O2/c1-14-3-2-4-18-19(14)17(20(23)21-18)13-15-5-7-16(8-6-15)22-9-11-24-12-10-22/h2-8,13H,9-12H2,1H3,(H,21,23)/b17-13-
InChIKeyKBPBXFBACWNRGQ-LGMDPLHJSA-N
MW320.39 g/mol
LogP3.32
Rot. Bonds2

About (3Z)-4-methyl-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one

(3Z)-4-methyl-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one (PubChem CID 10663503) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (3Z)-4-methyl-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-4-methyl-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one
PubChem CID10663503
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(3Z)-4-methyl-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one
SMILESCc1cccc2c1/C(=C/c1ccc(N3CCOCC3)cc1)C(=O)N2
InChIInChI=1S/C20H20N2O2/c1-14-3-2-4-18-19(14)17(20(23)21-18)13-15-5-7-16(8-6-15)22-9-11-24-12-10-22/h2-8,13H,9-12H2,1H3,(H,21,23)/b17-13-
InChIKeyKBPBXFBACWNRGQ-LGMDPLHJSA-N
XLogP3.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'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)-4-methyl-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-4-methyl-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one (CID 10663503) is (3Z)-4-methyl-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-4-methyl-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-4-methyl-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one is Cc1cccc2c1/C(=C/c1ccc(N3CCOCC3)cc1)C(=O)N2.
What is the InChIKey of (3Z)-4-methyl-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one?
The InChIKey is KBPBXFBACWNRGQ-LGMDPLHJSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14-3-2-4-18-19(14)17(20(23)21-18)13-15-5-7-16(8-6-15)22-9-11-24-12-10-22/h2-8,13H,9-12H2,1H3,(H,21,23)/b17-13-.
What are the key properties of (3Z)-4-methyl-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one?
(3Z)-4-methyl-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one has a molecular weight of 320.39 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-methyl-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 10663503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).