(E)-N-(2-ethyl-6-methylphenyl)-3-quinolin-8-ylprop-2-enamide

C21H20N2O — CID 51335179

IUPAC(E)-N-(2-ethyl-6-methylphenyl)-3-quinolin-8-ylprop-2-enamide
SMILESCCc1cccc(C)c1NC(=O)/C=C/c1cccc2cccnc12
InChIInChI=1S/C21H20N2O/c1-3-16-8-4-7-15(2)20(16)23-19(24)13-12-18-10-5-9-17-11-6-14-22-21(17)18/h4-14H,3H2,1-2H3,(H,23,24)/b13-12+
InChIKeyNKVPCIPDWSIPMD-OUKQBFOZSA-N
MW316.40 g/mol
LogP4.76
Rot. Bonds4

About (E)-N-(2-ethyl-6-methylphenyl)-3-quinolin-8-ylprop-2-enamide

(E)-N-(2-ethyl-6-methylphenyl)-3-quinolin-8-ylprop-2-enamide (PubChem CID 51335179) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is (E)-N-(2-ethyl-6-methylphenyl)-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-ethyl-6-methylphenyl)-3-quinolin-8-ylprop-2-enamide
PubChem CID51335179
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name(E)-N-(2-ethyl-6-methylphenyl)-3-quinolin-8-ylprop-2-enamide
SMILESCCc1cccc(C)c1NC(=O)/C=C/c1cccc2cccnc12
InChIInChI=1S/C21H20N2O/c1-3-16-8-4-7-15(2)20(16)23-19(24)13-12-18-10-5-9-17-11-6-14-22-21(17)18/h4-14H,3H2,1-2H3,(H,23,24)/b13-12+
InChIKeyNKVPCIPDWSIPMD-OUKQBFOZSA-N
XLogP4.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.76
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

(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260
methyl 3-methyl-4-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzoate
CID 134039289
methyl 4-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzoate
CID 24623415
N-(2-ethyl-6-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 3643097
N-ethyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 18152898
(E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide
CID 24616881
(E)-N-[1-(4-methylphenyl)propyl]-3-quinolin-8-ylprop-2-enamide
CID 24623993
(E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 55510584
(E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide
CID 110883145
(E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide
CID 24623966
3-(3,4-dichlorophenyl)-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 3605032
N-methyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 51333826

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethyl-6-methylphenyl)-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-ethyl-6-methylphenyl)-3-quinolin-8-ylprop-2-enamide (CID 51335179) is (E)-N-(2-ethyl-6-methylphenyl)-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-ethyl-6-methylphenyl)-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-ethyl-6-methylphenyl)-3-quinolin-8-ylprop-2-enamide is CCc1cccc(C)c1NC(=O)/C=C/c1cccc2cccnc12.
What is the InChIKey of (E)-N-(2-ethyl-6-methylphenyl)-3-quinolin-8-ylprop-2-enamide?
The InChIKey is NKVPCIPDWSIPMD-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H20N2O/c1-3-16-8-4-7-15(2)20(16)23-19(24)13-12-18-10-5-9-17-11-6-14-22-21(17)18/h4-14H,3H2,1-2H3,(H,23,24)/b13-12+.
What are the key properties of (E)-N-(2-ethyl-6-methylphenyl)-3-quinolin-8-ylprop-2-enamide?
(E)-N-(2-ethyl-6-methylphenyl)-3-quinolin-8-ylprop-2-enamide has a molecular weight of 316.40 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethyl-6-methylphenyl)-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 51335179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).