(3Z)-3-[(4-bromothiophen-2-yl)methylidene]-1-(2-morpholin-4-ylethyl)indol-2-one

C19H19BrN2O2S — CID 11589808

IUPAC(3Z)-3-[(4-bromothiophen-2-yl)methylidene]-1-(2-morpholin-4-ylethyl)indol-2-one
SMILESO=C1/C(=C\c2cc(Br)cs2)c2ccccc2N1CCN1CCOCC1
InChIInChI=1S/C19H19BrN2O2S/c20-14-11-15(25-13-14)12-17-16-3-1-2-4-18(16)22(19(17)23)6-5-21-7-9-24-10-8-21/h1-4,11-13H,5-10H2/b17-12-
InChIKeyHTLJAZVKEUWLND-ATVHPVEESA-N
MW419.34 g/mol
LogP3.73
Rot. Bonds4

About (3Z)-3-[(4-bromothiophen-2-yl)methylidene]-1-(2-morpholin-4-ylethyl)indol-2-one

(3Z)-3-[(4-bromothiophen-2-yl)methylidene]-1-(2-morpholin-4-ylethyl)indol-2-one (PubChem CID 11589808) has the molecular formula C19H19BrN2O2S and a molecular weight of 419.34 g/mol. Its IUPAC name is (3Z)-3-[(4-bromothiophen-2-yl)methylidene]-1-(2-morpholin-4-ylethyl)indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(4-bromothiophen-2-yl)methylidene]-1-(2-morpholin-4-ylethyl)indol-2-one
PubChem CID11589808
Molecular FormulaC19H19BrN2O2S
Molecular Weight419.34 g/mol
Exact Mass418.04
IUPAC Name(3Z)-3-[(4-bromothiophen-2-yl)methylidene]-1-(2-morpholin-4-ylethyl)indol-2-one
SMILESO=C1/C(=C\c2cc(Br)cs2)c2ccccc2N1CCN1CCOCC1
InChIInChI=1S/C19H19BrN2O2S/c20-14-11-15(25-13-14)12-17-16-3-1-2-4-18(16)22(19(17)23)6-5-21-7-9-24-10-8-21/h1-4,11-13H,5-10H2/b17-12-
InChIKeyHTLJAZVKEUWLND-ATVHPVEESA-N
XLogP3.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1-(2-morpholin-4-ylethyl)indol-2-one
CID 11638882
3-[(2,5-dimethoxyphenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one
CID 91050596
2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
5-bromo-3-[(3-chlorophenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one
CID 171132427
2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride
CID 54688737
3-[(N-morpholin-4-ylanilino)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one
CID 91110421
(3Z)-3-[(4-bromothiophen-2-yl)methylidene]-1H-indol-2-one
CID 6036100
5-[(4-bromothiophen-2-yl)methylidene]-1-phenyl-3-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1209893
(3E)-3-[(Z)-(4-bromothiophen-2-yl)methylidenehydrazinylidene]-1-ethylindol-2-one
CID 9122414
6-chloro-1-(2-morpholin-4-ylethyl)indole-2,3-dione
CID 61354619
5-[(4-bromothiophen-2-yl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 2805257
1-(2-morpholin-4-ylethyl)-5-nitroindole-2,3-dione
CID 141379908

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-bromothiophen-2-yl)methylidene]-1-(2-morpholin-4-ylethyl)indol-2-one?
The IUPAC name of (3Z)-3-[(4-bromothiophen-2-yl)methylidene]-1-(2-morpholin-4-ylethyl)indol-2-one (CID 11589808) is (3Z)-3-[(4-bromothiophen-2-yl)methylidene]-1-(2-morpholin-4-ylethyl)indol-2-one.
What is the SMILES notation for (3Z)-3-[(4-bromothiophen-2-yl)methylidene]-1-(2-morpholin-4-ylethyl)indol-2-one?
The canonical SMILES for (3Z)-3-[(4-bromothiophen-2-yl)methylidene]-1-(2-morpholin-4-ylethyl)indol-2-one is O=C1/C(=C\c2cc(Br)cs2)c2ccccc2N1CCN1CCOCC1.
What is the InChIKey of (3Z)-3-[(4-bromothiophen-2-yl)methylidene]-1-(2-morpholin-4-ylethyl)indol-2-one?
The InChIKey is HTLJAZVKEUWLND-ATVHPVEESA-N. The full InChI is InChI=1S/C19H19BrN2O2S/c20-14-11-15(25-13-14)12-17-16-3-1-2-4-18(16)22(19(17)23)6-5-21-7-9-24-10-8-21/h1-4,11-13H,5-10H2/b17-12-.
What are the key properties of (3Z)-3-[(4-bromothiophen-2-yl)methylidene]-1-(2-morpholin-4-ylethyl)indol-2-one?
(3Z)-3-[(4-bromothiophen-2-yl)methylidene]-1-(2-morpholin-4-ylethyl)indol-2-one has a molecular weight of 419.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-bromothiophen-2-yl)methylidene]-1-(2-morpholin-4-ylethyl)indol-2-one is sourced from PubChem (CID 11589808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).