(E)-N-cyclopentyl-N-ethyl-3-quinolin-8-ylprop-2-enamide

C19H22N2O — CID 134061052

IUPAC(E)-N-cyclopentyl-N-ethyl-3-quinolin-8-ylprop-2-enamide
SMILESCCN(C(=O)/C=C/c1cccc2cccnc12)C1CCCC1
InChIInChI=1S/C19H22N2O/c1-2-21(17-10-3-4-11-17)18(22)13-12-16-8-5-7-15-9-6-14-20-19(15)16/h5-9,12-14,17H,2-4,10-11H2,1H3/b13-12+
InChIKeyHZNQEQPGVNGPSU-OUKQBFOZSA-N
MW294.40 g/mol
LogP4.04
Rot. Bonds4

About (E)-N-cyclopentyl-N-ethyl-3-quinolin-8-ylprop-2-enamide

(E)-N-cyclopentyl-N-ethyl-3-quinolin-8-ylprop-2-enamide (PubChem CID 134061052) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (E)-N-cyclopentyl-N-ethyl-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopentyl-N-ethyl-3-quinolin-8-ylprop-2-enamide
PubChem CID134061052
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(E)-N-cyclopentyl-N-ethyl-3-quinolin-8-ylprop-2-enamide
SMILESCCN(C(=O)/C=C/c1cccc2cccnc12)C1CCCC1
InChIInChI=1S/C19H22N2O/c1-2-21(17-10-3-4-11-17)18(22)13-12-16-8-5-7-15-9-6-14-20-19(15)16/h5-9,12-14,17H,2-4,10-11H2,1H3/b13-12+
InChIKeyHZNQEQPGVNGPSU-OUKQBFOZSA-N
XLogP4.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-cyclopentyl-N-ethyl-3-quinolin-8-ylprop-2-enamide 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 (E)-N-cyclopentyl-N-ethyl-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-N-cyclopentyl-N-ethyl-3-quinolin-8-ylprop-2-enamide (CID 134061052) is (E)-N-cyclopentyl-N-ethyl-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-N-cyclopentyl-N-ethyl-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-N-cyclopentyl-N-ethyl-3-quinolin-8-ylprop-2-enamide is CCN(C(=O)/C=C/c1cccc2cccnc12)C1CCCC1.
What is the InChIKey of (E)-N-cyclopentyl-N-ethyl-3-quinolin-8-ylprop-2-enamide?
The InChIKey is HZNQEQPGVNGPSU-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-21(17-10-3-4-11-17)18(22)13-12-16-8-5-7-15-9-6-14-20-19(15)16/h5-9,12-14,17H,2-4,10-11H2,1H3/b13-12+.
What are the key properties of (E)-N-cyclopentyl-N-ethyl-3-quinolin-8-ylprop-2-enamide?
(E)-N-cyclopentyl-N-ethyl-3-quinolin-8-ylprop-2-enamide has a molecular weight of 294.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopentyl-N-ethyl-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 134061052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).