(3E)-3-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-ethylindol-2-one

C19H18BrNO3 — CID 126204603

IUPAC(3E)-3-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-ethylindol-2-one
SMILESCCN1C(=O)/C(=C/c2cc(Br)cc(OC)c2OC)c2ccccc21
InChIInChI=1S/C19H18BrNO3/c1-4-21-16-8-6-5-7-14(16)15(19(21)22)10-12-9-13(20)11-17(23-2)18(12)24-3/h5-11H,4H2,1-3H3/b15-10+
InChIKeyFCFBDFIEQKGTJI-XNTDXEJSSA-N
MW388.26 g/mol
LogP4.37
Rot. Bonds4

About (3E)-3-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-ethylindol-2-one

(3E)-3-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-ethylindol-2-one (PubChem CID 126204603) has the molecular formula C19H18BrNO3 and a molecular weight of 388.26 g/mol. Its IUPAC name is (3E)-3-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-ethylindol-2-one.

Molecular Properties

Compound Name(3E)-3-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-ethylindol-2-one
PubChem CID126204603
Molecular FormulaC19H18BrNO3
Molecular Weight388.26 g/mol
Exact Mass387.05
IUPAC Name(3E)-3-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-ethylindol-2-one
SMILESCCN1C(=O)/C(=C/c2cc(Br)cc(OC)c2OC)c2ccccc21
InChIInChI=1S/C19H18BrNO3/c1-4-21-16-8-6-5-7-14(16)15(19(21)22)10-12-9-13(20)11-17(23-2)18(12)24-3/h5-11H,4H2,1-3H3/b15-10+
InChIKeyFCFBDFIEQKGTJI-XNTDXEJSSA-N
XLogP4.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E)-3-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-ethylindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-3-[(3,5-dibromo-2-methoxyphenyl)methylidene]-1-ethylindol-2-one
CID 126117481
(3Z)-3-[(4,5-dimethoxy-2-methylphenyl)methylidene]-1-ethylindol-2-one
CID 126119662
(3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-1-ethylindol-2-one
CID 126120168
(3E)-3-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1-ethylindol-2-one
CID 126202963
(3E)-3-[(5-bromo-1H-indol-3-yl)methylidene]-1-ethylindol-2-one
CID 126200184
(3Z)-3-[[3-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-1-ethylindol-2-one
CID 126118552
(3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one
CID 58795351
(3Z)-3-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126126060
(3Z)-1-ethyl-3-[(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]indol-2-one
CID 126118077
3-[(5-bromo-2-methoxyphenyl)methylidene]-1-methylindol-2-one
CID 3496594
(3Z)-3-[(2,4-diethoxyphenyl)methylidene]-1-ethylindol-2-one
CID 126117097
(3Z)-1-ethyl-3-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]indol-2-one
CID 126126889

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-ethylindol-2-one?
The IUPAC name of (3E)-3-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-ethylindol-2-one (CID 126204603) is (3E)-3-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-ethylindol-2-one.
What is the SMILES notation for (3E)-3-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-ethylindol-2-one?
The canonical SMILES for (3E)-3-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-ethylindol-2-one is CCN1C(=O)/C(=C/c2cc(Br)cc(OC)c2OC)c2ccccc21.
What is the InChIKey of (3E)-3-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-ethylindol-2-one?
The InChIKey is FCFBDFIEQKGTJI-XNTDXEJSSA-N. The full InChI is InChI=1S/C19H18BrNO3/c1-4-21-16-8-6-5-7-14(16)15(19(21)22)10-12-9-13(20)11-17(23-2)18(12)24-3/h5-11H,4H2,1-3H3/b15-10+.
What are the key properties of (3E)-3-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-ethylindol-2-one?
(3E)-3-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-ethylindol-2-one has a molecular weight of 388.26 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-ethylindol-2-one is sourced from PubChem (CID 126204603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).