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

C20H18N2O2 — CID 26123412

IUPAC(E)-3-(4-ethoxyphenyl)-N-quinolin-8-ylprop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C20H18N2O2/c1-2-24-17-11-8-15(9-12-17)10-13-19(23)22-18-7-3-5-16-6-4-14-21-20(16)18/h3-14H,2H2,1H3,(H,22,23)/b13-10+
InChIKeyYKHYLPLUKLRPMX-JLHYYAGUSA-N
MW318.38 g/mol
LogP4.29
Rot. Bonds5

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

(E)-3-(4-ethoxyphenyl)-N-quinolin-8-ylprop-2-enamide (PubChem CID 26123412) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (E)-3-(4-ethoxyphenyl)-N-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethoxyphenyl)-N-quinolin-8-ylprop-2-enamide
PubChem CID26123412
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name(E)-3-(4-ethoxyphenyl)-N-quinolin-8-ylprop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C20H18N2O2/c1-2-24-17-11-8-15(9-12-17)10-13-19(23)22-18-7-3-5-16-6-4-14-21-20(16)18/h3-14H,2H2,1H3,(H,22,23)/b13-10+
InChIKeyYKHYLPLUKLRPMX-JLHYYAGUSA-N
XLogP4.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 804776
(E)-3-phenyl-N-quinolin-8-ylprop-2-enamide
CID 952598
(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
(E)-3-(3-fluoro-4-methoxyphenyl)-N-quinolin-8-ylprop-2-enamide
CID 18200446
2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide
CID 109009200
(E)-3-(3-fluorophenyl)-N-quinolin-8-ylprop-2-enamide
CID 26123578
3-(5-methylfuran-2-yl)-N-quinolin-8-ylprop-2-enamide
CID 721179
N-(4-ethoxyphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 17227107
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150
(E)-3-(4-ethoxyphenyl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
CID 108767339
2-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylacetamide
CID 113173997
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxyphenyl)-N-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-3-(4-ethoxyphenyl)-N-quinolin-8-ylprop-2-enamide (CID 26123412) is (E)-3-(4-ethoxyphenyl)-N-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethoxyphenyl)-N-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-3-(4-ethoxyphenyl)-N-quinolin-8-ylprop-2-enamide is CCOc1ccc(/C=C/C(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of (E)-3-(4-ethoxyphenyl)-N-quinolin-8-ylprop-2-enamide?
The InChIKey is YKHYLPLUKLRPMX-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-2-24-17-11-8-15(9-12-17)10-13-19(23)22-18-7-3-5-16-6-4-14-21-20(16)18/h3-14H,2H2,1H3,(H,22,23)/b13-10+.
What are the key properties of (E)-3-(4-ethoxyphenyl)-N-quinolin-8-ylprop-2-enamide?
(E)-3-(4-ethoxyphenyl)-N-quinolin-8-ylprop-2-enamide has a molecular weight of 318.38 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxyphenyl)-N-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 26123412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).