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

C19H18N2O2 — CID 2379240

IUPAC(3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H18N2O2/c22-19-17(16-3-1-2-4-18(16)20-19)13-14-5-7-15(8-6-14)21-9-11-23-12-10-21/h1-8,13H,9-12H2,(H,20,22)/b17-13-
InChIKeyFWFISWZSIAJQSO-LGMDPLHJSA-N
MW306.37 g/mol
LogP3.02
Rot. Bonds2

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

(3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one (PubChem CID 2379240) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one
PubChem CID2379240
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H18N2O2/c22-19-17(16-3-1-2-4-18(16)20-19)13-14-5-7-15(8-6-14)21-9-11-23-12-10-21/h1-8,13H,9-12H2,(H,20,22)/b17-13-
InChIKeyFWFISWZSIAJQSO-LGMDPLHJSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.02
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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Related Compounds

5-chloro-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one
CID 3301155
3-[[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]methylidene]-1H-indol-2-one
CID 57226033
(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 5398219
(5Z)-1-benzyl-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2293133
(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-1-naphthalen-2-yl-1,3-diazinane-2,4,6-trione
CID 2292518
4-[4-[(Z)-(2-oxo-4-pyridin-4-yl-1H-indol-3-ylidene)methyl]phenyl]piperazine-1-carbaldehyde
CID 22135470
(3E)-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 17465083
(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
(5Z)-1-(2-methoxyphenyl)-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 6229481
5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 21212299
(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-1H-indol-2-one
CID 964069
(3E)-3-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1H-indol-2-one
CID 2542406

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one (CID 2379240) is (3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C/c1ccc(N2CCOCC2)cc1.
What is the InChIKey of (3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one?
The InChIKey is FWFISWZSIAJQSO-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-19-17(16-3-1-2-4-18(16)20-19)13-14-5-7-15(8-6-14)21-9-11-23-12-10-21/h1-8,13H,9-12H2,(H,20,22)/b17-13-.
What are the key properties of (3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one?
(3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one has a molecular weight of 306.37 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 2379240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).