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

C19H17ClN2O2 — CID 3301155

IUPAC5-chloro-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H17ClN2O2/c20-14-3-6-18-16(12-14)17(19(23)21-18)11-13-1-4-15(5-2-13)22-7-9-24-10-8-22/h1-6,11-12H,7-10H2,(H,21,23)
InChIKeyDVKIICSQTRTPIE-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.67
Rot. Bonds2

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

5-chloro-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one (PubChem CID 3301155) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 5-chloro-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one
PubChem CID3301155
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name5-chloro-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H17ClN2O2/c20-14-3-6-18-16(12-14)17(19(23)21-18)11-13-1-4-15(5-2-13)22-7-9-24-10-8-22/h1-6,11-12H,7-10H2,(H,21,23)
InChIKeyDVKIICSQTRTPIE-UHFFFAOYSA-N
XLogP3.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.67
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

(3Z)-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one
CID 2379240
3-[(4-tert-butylphenyl)methylidene]-5-chloro-1H-indol-2-one
CID 4605716
(5E)-1-(4-chlorophenyl)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1323842
(3E)-5-chloro-3-[(2-morpholin-4-ylquinolin-1-ium-3-yl)methylidene]-1H-indol-2-one
CID 2663828
4-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzonitrile
CID 2338594
5-(2-chloroethyl)-3-[(4-pyrrolidin-1-ylphenyl)methylidene]-1H-indol-2-one
CID 57252111
(3Z)-6-chloro-3-[(2-methoxy-4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one
CID 6511886
3-[(4-chlorophenyl)methylidene]-5-iodo-1H-indol-2-one
CID 56989643
5-bromo-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 4098591
5-morpholin-4-yl-1H-indole-2,3-dione
CID 16781550
(3Z)-5-chloro-3-[(1-methylpyrazol-4-yl)methylidene]-1H-indol-2-one
CID 17404110
5-chloro-3-[(4-prop-2-enoxyphenyl)methylidene]-1H-indol-2-one
CID 3498015

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of 5-chloro-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one (CID 3301155) is 5-chloro-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2C1=Cc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 5-chloro-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one?
The InChIKey is DVKIICSQTRTPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c20-14-3-6-18-16(12-14)17(19(23)21-18)11-13-1-4-15(5-2-13)22-7-9-24-10-8-22/h1-6,11-12H,7-10H2,(H,21,23).
What are the key properties of 5-chloro-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one?
5-chloro-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one has a molecular weight of 340.81 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(4-morpholin-4-ylphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 3301155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).