(2E)-2-(1-ethylquinolin-2-ylidene)-1-methylindol-3-one

C20H18N2O — CID 6157777

IUPAC(2E)-2-(1-ethylquinolin-2-ylidene)-1-methylindol-3-one
SMILESCCN1/C(=C2\C(=O)c3ccccc3N2C)C=Cc2ccccc21
InChIInChI=1S/C20H18N2O/c1-3-22-16-10-6-4-8-14(16)12-13-18(22)19-20(23)15-9-5-7-11-17(15)21(19)2/h4-13H,3H2,1-2H3/b19-18+
InChIKeyAPLRECMWNTUQNW-VHEBQXMUSA-N
MW302.38 g/mol
LogP4.08
Rot. Bonds1

About (2E)-2-(1-ethylquinolin-2-ylidene)-1-methylindol-3-one

(2E)-2-(1-ethylquinolin-2-ylidene)-1-methylindol-3-one (PubChem CID 6157777) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is (2E)-2-(1-ethylquinolin-2-ylidene)-1-methylindol-3-one.

Molecular Properties

Compound Name(2E)-2-(1-ethylquinolin-2-ylidene)-1-methylindol-3-one
PubChem CID6157777
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name(2E)-2-(1-ethylquinolin-2-ylidene)-1-methylindol-3-one
SMILESCCN1/C(=C2\C(=O)c3ccccc3N2C)C=Cc2ccccc21
InChIInChI=1S/C20H18N2O/c1-3-22-16-10-6-4-8-14(16)12-13-18(22)19-20(23)15-9-5-7-11-17(15)21(19)2/h4-13H,3H2,1-2H3/b19-18+
InChIKeyAPLRECMWNTUQNW-VHEBQXMUSA-N
XLogP4.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_E(44)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E)-2-(1-ethylquinolin-2-ylidene)-1-methylindol-3-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 (2E)-2-(1-ethylquinolin-2-ylidene)-1-methylindol-3-one?
The IUPAC name of (2E)-2-(1-ethylquinolin-2-ylidene)-1-methylindol-3-one (CID 6157777) is (2E)-2-(1-ethylquinolin-2-ylidene)-1-methylindol-3-one.
What is the SMILES notation for (2E)-2-(1-ethylquinolin-2-ylidene)-1-methylindol-3-one?
The canonical SMILES for (2E)-2-(1-ethylquinolin-2-ylidene)-1-methylindol-3-one is CCN1/C(=C2\C(=O)c3ccccc3N2C)C=Cc2ccccc21.
What is the InChIKey of (2E)-2-(1-ethylquinolin-2-ylidene)-1-methylindol-3-one?
The InChIKey is APLRECMWNTUQNW-VHEBQXMUSA-N. The full InChI is InChI=1S/C20H18N2O/c1-3-22-16-10-6-4-8-14(16)12-13-18(22)19-20(23)15-9-5-7-11-17(15)21(19)2/h4-13H,3H2,1-2H3/b19-18+.
What are the key properties of (2E)-2-(1-ethylquinolin-2-ylidene)-1-methylindol-3-one?
(2E)-2-(1-ethylquinolin-2-ylidene)-1-methylindol-3-one has a molecular weight of 302.38 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1-ethylquinolin-2-ylidene)-1-methylindol-3-one is sourced from PubChem (CID 6157777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).