(E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide

C18H13FN2O — CID 24616881

IUPAC(E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2cccnc12)Nc1ccc(F)cc1
InChIInChI=1S/C18H13FN2O/c19-15-7-9-16(10-8-15)21-17(22)11-6-14-4-1-3-13-5-2-12-20-18(13)14/h1-12H,(H,21,22)/b11-6+
InChIKeyBUXZBOVHXKAOKZ-IZZDOVSWSA-N
MW292.31 g/mol
LogP4.03
Rot. Bonds3

About (E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide

(E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide (PubChem CID 24616881) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is (E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide
PubChem CID24616881
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name(E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2cccnc12)Nc1ccc(F)cc1
InChIInChI=1S/C18H13FN2O/c19-15-7-9-16(10-8-15)21-17(22)11-6-14-4-1-3-13-5-2-12-20-18(13)14/h1-12H,(H,21,22)/b11-6+
InChIKeyBUXZBOVHXKAOKZ-IZZDOVSWSA-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'}

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Related Compounds

methyl 4-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzoate
CID 24623415
(E)-N-(1,3-benzodioxol-5-yl)-3-quinolin-8-ylprop-2-enamide
CID 51333506
(E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide
CID 110883145
N-methyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 51333826
(E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-quinolin-8-ylprop-2-enamide
CID 24623803
(E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 55510584
(E)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-quinolin-8-ylprop-2-enamide
CID 134050608
(E)-N-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]-3-quinolin-8-ylprop-2-enamide
CID 18286599
N-methyl-2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 51336969
N-ethyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 18152898
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-quinolin-8-ylprop-2-enamide
CID 55799667
(E)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-quinolin-8-ylprop-2-enamide
CID 55510651

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide (CID 24616881) is (E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide is O=C(/C=C/c1cccc2cccnc12)Nc1ccc(F)cc1.
What is the InChIKey of (E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide?
The InChIKey is BUXZBOVHXKAOKZ-IZZDOVSWSA-N. The full InChI is InChI=1S/C18H13FN2O/c19-15-7-9-16(10-8-15)21-17(22)11-6-14-4-1-3-13-5-2-12-20-18(13)14/h1-12H,(H,21,22)/b11-6+.
What are the key properties of (E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide?
(E)-N-(4-fluorophenyl)-3-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)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 24616881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).