(E)-N-[(2-chlorophenyl)methyl]-N-methyl-3-quinolin-8-ylprop-2-enamide

C20H17ClN2O — CID 18152800

IUPAC(E)-N-[(2-chlorophenyl)methyl]-N-methyl-3-quinolin-8-ylprop-2-enamide
SMILESCN(Cc1ccccc1Cl)C(=O)/C=C/c1cccc2cccnc12
InChIInChI=1S/C20H17ClN2O/c1-23(14-17-6-2-3-10-18(17)21)19(24)12-11-16-8-4-7-15-9-5-13-22-20(15)16/h2-13H,14H2,1H3/b12-11+
InChIKeyLADZYSJHURYOSO-VAWYXSNFSA-N
MW336.82 g/mol
LogP4.56
Rot. Bonds4

About (E)-N-[(2-chlorophenyl)methyl]-N-methyl-3-quinolin-8-ylprop-2-enamide

(E)-N-[(2-chlorophenyl)methyl]-N-methyl-3-quinolin-8-ylprop-2-enamide (PubChem CID 18152800) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is (E)-N-[(2-chlorophenyl)methyl]-N-methyl-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2-chlorophenyl)methyl]-N-methyl-3-quinolin-8-ylprop-2-enamide
PubChem CID18152800
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC Name(E)-N-[(2-chlorophenyl)methyl]-N-methyl-3-quinolin-8-ylprop-2-enamide
SMILESCN(Cc1ccccc1Cl)C(=O)/C=C/c1cccc2cccnc12
InChIInChI=1S/C20H17ClN2O/c1-23(14-17-6-2-3-10-18(17)21)19(24)12-11-16-8-4-7-15-9-5-13-22-20(15)16/h2-13H,14H2,1H3/b12-11+
InChIKeyLADZYSJHURYOSO-VAWYXSNFSA-N
XLogP4.56
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-[(2-chlorophenyl)methyl]-N-methyl-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

(E)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-3-quinolin-8-ylprop-2-enamide
CID 55512958
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16608083
(E)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-quinolin-8-ylprop-2-enamide
CID 51333791
(E)-N-cyclopentyl-N-ethyl-3-quinolin-8-ylprop-2-enamide
CID 134061052
(E)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylprop-2-enamide
CID 18090254
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60628317
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-methylprop-2-enamide
CID 78768505
(Z)-N-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-3-quinolin-8-ylprop-2-enamide
CID 98549142
[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16607812
(3,3-dimethyl-2-oxobutyl) (E)-3-quinolin-8-ylprop-2-enoate
CID 16607648
(E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide
CID 24623966
(E)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-quinolin-8-ylprop-2-enamide
CID 18152783

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-chlorophenyl)methyl]-N-methyl-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-N-[(2-chlorophenyl)methyl]-N-methyl-3-quinolin-8-ylprop-2-enamide (CID 18152800) is (E)-N-[(2-chlorophenyl)methyl]-N-methyl-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2-chlorophenyl)methyl]-N-methyl-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(2-chlorophenyl)methyl]-N-methyl-3-quinolin-8-ylprop-2-enamide is CN(Cc1ccccc1Cl)C(=O)/C=C/c1cccc2cccnc12.
What is the InChIKey of (E)-N-[(2-chlorophenyl)methyl]-N-methyl-3-quinolin-8-ylprop-2-enamide?
The InChIKey is LADZYSJHURYOSO-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H17ClN2O/c1-23(14-17-6-2-3-10-18(17)21)19(24)12-11-16-8-4-7-15-9-5-13-22-20(15)16/h2-13H,14H2,1H3/b12-11+.
What are the key properties of (E)-N-[(2-chlorophenyl)methyl]-N-methyl-3-quinolin-8-ylprop-2-enamide?
(E)-N-[(2-chlorophenyl)methyl]-N-methyl-3-quinolin-8-ylprop-2-enamide has a molecular weight of 336.82 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-chlorophenyl)methyl]-N-methyl-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 18152800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).