(E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide

C19H17N3O — CID 39897812

IUPAC(E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2cccnc12)NCCc1ccccn1
InChIInChI=1S/C19H17N3O/c23-18(21-14-11-17-8-1-2-12-20-17)10-9-16-6-3-5-15-7-4-13-22-19(15)16/h1-10,12-13H,11,14H2,(H,21,23)/b10-9+
InChIKeyPOCXLIJFGBUPMN-MDZDMXLPSA-N
MW303.37 g/mol
LogP3.00
Rot. Bonds5

About (E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide

(E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide (PubChem CID 39897812) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is (E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide
PubChem CID39897812
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name(E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2cccnc12)NCCc1ccccn1
InChIInChI=1S/C19H17N3O/c23-18(21-14-11-17-8-1-2-12-20-17)10-9-16-6-3-5-15-7-4-13-22-19(15)16/h1-10,12-13H,11,14H2,(H,21,23)/b10-9+
InChIKeyPOCXLIJFGBUPMN-MDZDMXLPSA-N
XLogP3.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(2-pyridin-2-ylethyl)-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

Related Compounds

3-(2,3-dichlorophenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 74607566
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-quinolin-8-ylprop-2-enamide
CID 98669636
(E)-3-(1-benzofuran-2-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 39400764
1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea
CID 47032875
N-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide
CID 111445377
(E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide
CID 24623966
N-benzhydryl-3-quinolin-8-ylprop-2-enamide
CID 55503823
(E)-N-(2-quinolin-8-ylethyl)but-2-enamide
CID 112723855
(E)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-quinolin-8-ylprop-2-enamide
CID 42937673
(E)-3-(2-bromophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 9414496
(E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide
CID 24616881
(E)-3-quinolin-8-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-enamide
CID 51113098

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide (CID 39897812) is (E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide is O=C(/C=C/c1cccc2cccnc12)NCCc1ccccn1.
What is the InChIKey of (E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide?
The InChIKey is POCXLIJFGBUPMN-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H17N3O/c23-18(21-14-11-17-8-1-2-12-20-17)10-9-16-6-3-5-15-7-4-13-22-19(15)16/h1-10,12-13H,11,14H2,(H,21,23)/b10-9+.
What are the key properties of (E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide?
(E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide has a molecular weight of 303.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 39897812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).