(E)-3-phenyl-N-quinolin-8-ylprop-2-enamide

C18H14N2O — CID 952598

IUPAC(E)-3-phenyl-N-quinolin-8-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cccc2cccnc12
InChIInChI=1S/C18H14N2O/c21-17(12-11-14-6-2-1-3-7-14)20-16-10-4-8-15-9-5-13-19-18(15)16/h1-13H,(H,20,21)/b12-11+
InChIKeyCTPSLLCFINSULA-VAWYXSNFSA-N
MW274.32 g/mol
LogP3.89
Rot. Bonds3

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

(E)-3-phenyl-N-quinolin-8-ylprop-2-enamide (PubChem CID 952598) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is (E)-3-phenyl-N-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-quinolin-8-ylprop-2-enamide
PubChem CID952598
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name(E)-3-phenyl-N-quinolin-8-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cccc2cccnc12
InChIInChI=1S/C18H14N2O/c21-17(12-11-14-6-2-1-3-7-14)20-16-10-4-8-15-9-5-13-19-18(15)16/h1-13H,(H,20,21)/b12-11+
InChIKeyCTPSLLCFINSULA-VAWYXSNFSA-N
XLogP3.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-phenyl-N-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)-3-(3-fluorophenyl)-N-quinolin-8-ylprop-2-enamide
CID 26123578
(E)-3-(4-ethoxyphenyl)-N-quinolin-8-ylprop-2-enamide
CID 26123412
N-(3-methylphenyl)-3-[(E)-3-oxo-3-(quinolin-8-ylamino)prop-1-enyl]benzamide
CID 159458220
3-(5-methylfuran-2-yl)-N-quinolin-8-ylprop-2-enamide
CID 721179
3-(5-bromothiophen-2-yl)-N-quinolin-8-ylprop-2-enamide
CID 78778651
(E)-3-(3-fluoro-4-methoxyphenyl)-N-quinolin-8-ylprop-2-enamide
CID 18200446
3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
CID 3507012
(2S)-3-methyl-2-[1-[[(E)-3-phenylprop-2-enoyl]amino]ethyl-(quinolin-8-ylcarbamothioyl)amino]butanoic acid
CID 170416918
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-quinolin-8-ylprop-2-enamide
CID 75618039
3-methyl-2-[quinolin-8-ylcarbamothioyl-[2,2,2-trichloro-1-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]amino]butanoic acid
CID 139519233
N-methyl-2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 51336969
(Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 92904671

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-quinolin-8-ylprop-2-enamide (CID 952598) is (E)-3-phenyl-N-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-quinolin-8-ylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1cccc2cccnc12.
What is the InChIKey of (E)-3-phenyl-N-quinolin-8-ylprop-2-enamide?
The InChIKey is CTPSLLCFINSULA-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H14N2O/c21-17(12-11-14-6-2-1-3-7-14)20-16-10-4-8-15-9-5-13-19-18(15)16/h1-13H,(H,20,21)/b12-11+.
What are the key properties of (E)-3-phenyl-N-quinolin-8-ylprop-2-enamide?
(E)-3-phenyl-N-quinolin-8-ylprop-2-enamide has a molecular weight of 274.32 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 952598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).