(3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1-phenylindol-2-one

C21H13ClN2O2 — CID 54586674

IUPAC(3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1-phenylindol-2-one
SMILESO=C(/C=C1/C(=O)N(c2ccccc2)c2cccc(Cl)c21)c1cccnc1
InChIInChI=1S/C21H13ClN2O2/c22-17-9-4-10-18-20(17)16(12-19(25)14-6-5-11-23-13-14)21(26)24(18)15-7-2-1-3-8-15/h1-13H/b16-12+
InChIKeyMAXLUMXHDRQNGJ-FOWTUZBSSA-N
MW360.80 g/mol
LogP4.68
Rot. Bonds3

About (3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1-phenylindol-2-one

(3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1-phenylindol-2-one (PubChem CID 54586674) has the molecular formula C21H13ClN2O2 and a molecular weight of 360.80 g/mol. Its IUPAC name is (3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1-phenylindol-2-one.

Molecular Properties

Compound Name(3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1-phenylindol-2-one
PubChem CID54586674
Molecular FormulaC21H13ClN2O2
Molecular Weight360.80 g/mol
Exact Mass360.07
IUPAC Name(3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1-phenylindol-2-one
SMILESO=C(/C=C1/C(=O)N(c2ccccc2)c2cccc(Cl)c21)c1cccnc1
InChIInChI=1S/C21H13ClN2O2/c22-17-9-4-10-18-20(17)16(12-19(25)14-6-5-11-23-13-14)21(26)24(18)15-7-2-1-3-8-15/h1-13H/b16-12+
InChIKeyMAXLUMXHDRQNGJ-FOWTUZBSSA-N
XLogP4.68
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1-phenylindol-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

Frequently Asked Questions

What is the IUPAC name of (3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1-phenylindol-2-one?
The IUPAC name of (3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1-phenylindol-2-one (CID 54586674) is (3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1-phenylindol-2-one.
What is the SMILES notation for (3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1-phenylindol-2-one?
The canonical SMILES for (3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1-phenylindol-2-one is O=C(/C=C1/C(=O)N(c2ccccc2)c2cccc(Cl)c21)c1cccnc1.
What is the InChIKey of (3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1-phenylindol-2-one?
The InChIKey is MAXLUMXHDRQNGJ-FOWTUZBSSA-N. The full InChI is InChI=1S/C21H13ClN2O2/c22-17-9-4-10-18-20(17)16(12-19(25)14-6-5-11-23-13-14)21(26)24(18)15-7-2-1-3-8-15/h1-13H/b16-12+.
What are the key properties of (3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1-phenylindol-2-one?
(3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1-phenylindol-2-one has a molecular weight of 360.80 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1-phenylindol-2-one is sourced from PubChem (CID 54586674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).