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

C18H13FN2O — CID 26123578

IUPAC(E)-3-(3-fluorophenyl)-N-quinolin-8-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)Nc1cccc2cccnc12
InChIInChI=1S/C18H13FN2O/c19-15-7-1-4-13(12-15)9-10-17(22)21-16-8-2-5-14-6-3-11-20-18(14)16/h1-12H,(H,21,22)/b10-9+
InChIKeyBXHKYNDUUBILHP-MDZDMXLPSA-N
MW292.31 g/mol
LogP4.03
Rot. Bonds3

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

(E)-3-(3-fluorophenyl)-N-quinolin-8-ylprop-2-enamide (PubChem CID 26123578) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-quinolin-8-ylprop-2-enamide
PubChem CID26123578
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name(E)-3-(3-fluorophenyl)-N-quinolin-8-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)Nc1cccc2cccnc12
InChIInChI=1S/C18H13FN2O/c19-15-7-1-4-13(12-15)9-10-17(22)21-16-8-2-5-14-6-3-11-20-18(14)16/h1-12H,(H,21,22)/b10-9+
InChIKeyBXHKYNDUUBILHP-MDZDMXLPSA-N
XLogP4.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(3-fluorophenyl)-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-phenyl-N-quinolin-8-ylprop-2-enamide
CID 952598
(E)-3-(3-fluoro-4-methoxyphenyl)-N-quinolin-8-ylprop-2-enamide
CID 18200446
(E)-3-(3-fluorophenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 84554139
N-(3-methylphenyl)-3-[(E)-3-oxo-3-(quinolin-8-ylamino)prop-1-enyl]benzamide
CID 159458220
(E)-3-(4-ethoxyphenyl)-N-quinolin-8-ylprop-2-enamide
CID 26123412
(E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 39471692
2-(3-fluorophenyl)-N-quinolin-8-ylacetamide
CID 17466971
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
N-[(E)-(3-fluorophenyl)methylideneamino]quinolin-8-amine
CID 19164942
3-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)prop-2-enamide
CID 72685075
N-[3-(3-cyanopropoxy)-2-pyridinyl]-3-(3-fluorophenyl)prop-2-enamide
CID 72684835

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-quinolin-8-ylprop-2-enamide (CID 26123578) is (E)-3-(3-fluorophenyl)-N-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-quinolin-8-ylprop-2-enamide is O=C(/C=C/c1cccc(F)c1)Nc1cccc2cccnc12.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-quinolin-8-ylprop-2-enamide?
The InChIKey is BXHKYNDUUBILHP-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H13FN2O/c19-15-7-1-4-13(12-15)9-10-17(22)21-16-8-2-5-14-6-3-11-20-18(14)16/h1-12H,(H,21,22)/b10-9+.
What are the key properties of (E)-3-(3-fluorophenyl)-N-quinolin-8-ylprop-2-enamide?
(E)-3-(3-fluorophenyl)-N-quinolin-8-ylprop-2-enamide has a molecular weight of 292.31 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-N-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 26123578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).