N-ethyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide

C21H19N3O2 — CID 18152898

IUPACN-ethyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)/C=C/c2cccc3cccnc23)c1
InChIInChI=1S/C21H19N3O2/c1-2-22-21(26)17-8-4-10-18(14-17)24-19(25)12-11-16-7-3-6-15-9-5-13-23-20(15)16/h3-14H,2H2,1H3,(H,22,26)(H,24,25)/b12-11+
InChIKeyHTQLWCKUYLZDSJ-VAWYXSNFSA-N
MW345.40 g/mol
LogP3.64
Rot. Bonds5

About N-ethyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide

N-ethyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide (PubChem CID 18152898) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-ethyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
PubChem CID18152898
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-ethyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)/C=C/c2cccc3cccnc23)c1
InChIInChI=1S/C21H19N3O2/c1-2-22-21(26)17-8-4-10-18(14-17)24-19(25)12-11-16-7-3-6-15-9-5-13-23-20(15)16/h3-14H,2H2,1H3,(H,22,26)(H,24,25)/b12-11+
InChIKeyHTQLWCKUYLZDSJ-VAWYXSNFSA-N
XLogP3.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 51333826
(E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide
CID 110883145
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-quinolin-8-ylprop-2-enamide
CID 51333611
methyl 4-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzoate
CID 24623415
(E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide
CID 24616881
(E)-N-(1,3-benzodioxol-5-yl)-3-quinolin-8-ylprop-2-enamide
CID 51333506
(E)-N-(4-methyl-3-sulfamoylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 55510584
(E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-quinolin-8-ylprop-2-enamide
CID 24623803
(E)-N-[2-chloro-5-(propanoylamino)phenyl]-3-quinolin-8-ylprop-2-enamide
CID 94092976
(E)-N-(2-ethyl-6-methylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 51335179
N,N-diethyl-3-[[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]carbamoyl]benzenesulfonamide
CID 24623463
3-acetamido-N-ethylbenzamide
CID 17230670

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide?
The IUPAC name of N-ethyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide (CID 18152898) is N-ethyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-ethyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide?
The canonical SMILES for N-ethyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide is CCNC(=O)c1cccc(NC(=O)/C=C/c2cccc3cccnc23)c1.
What is the InChIKey of N-ethyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide?
The InChIKey is HTQLWCKUYLZDSJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-2-22-21(26)17-8-4-10-18(14-17)24-19(25)12-11-16-7-3-6-15-9-5-13-23-20(15)16/h3-14H,2H2,1H3,(H,22,26)(H,24,25)/b12-11+.
What are the key properties of N-ethyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide?
N-ethyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide has a molecular weight of 345.40 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide is sourced from PubChem (CID 18152898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).