(3Z)-6-chloro-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one

C20H19ClN2O3 — CID 6511886

IUPAC(3Z)-6-chloro-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one
SMILESCOc1cc(N2CCOCC2)ccc1/C=C1\C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C20H19ClN2O3/c1-25-19-12-15(23-6-8-26-9-7-23)4-2-13(19)10-17-16-5-3-14(21)11-18(16)22-20(17)24/h2-5,10-12H,6-9H2,1H3,(H,22,24)/b17-10-
InChIKeyWQASOMRZXRAUFL-YVLHZVERSA-N
MW370.84 g/mol
LogP3.68
Rot. Bonds3

About (3Z)-6-chloro-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one

(3Z)-6-chloro-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one (PubChem CID 6511886) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is (3Z)-6-chloro-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-6-chloro-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one
PubChem CID6511886
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name(3Z)-6-chloro-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one
SMILESCOc1cc(N2CCOCC2)ccc1/C=C1\C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C20H19ClN2O3/c1-25-19-12-15(23-6-8-26-9-7-23)4-2-13(19)10-17-16-5-3-14(21)11-18(16)22-20(17)24/h2-5,10-12H,6-9H2,1H3,(H,22,24)/b17-10-
InChIKeyWQASOMRZXRAUFL-YVLHZVERSA-N
XLogP3.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-6-chloro-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-6-chloro-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one (CID 6511886) is (3Z)-6-chloro-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-6-chloro-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-6-chloro-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one is COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of (3Z)-6-chloro-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one?
The InChIKey is WQASOMRZXRAUFL-YVLHZVERSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-25-19-12-15(23-6-8-26-9-7-23)4-2-13(19)10-17-16-5-3-14(21)11-18(16)22-20(17)24/h2-5,10-12H,6-9H2,1H3,(H,22,24)/b17-10-.
What are the key properties of (3Z)-6-chloro-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one?
(3Z)-6-chloro-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one has a molecular weight of 370.84 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-chloro-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 6511886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).