(E)-N-(3-ethylphenyl)-3-quinolin-2-ylprop-2-enamide

C20H18N2O — CID 25337159

IUPAC(E)-N-(3-ethylphenyl)-3-quinolin-2-ylprop-2-enamide
SMILESCCc1cccc(NC(=O)/C=C/c2ccc3ccccc3n2)c1
InChIInChI=1S/C20H18N2O/c1-2-15-6-5-8-18(14-15)22-20(23)13-12-17-11-10-16-7-3-4-9-19(16)21-17/h3-14H,2H2,1H3,(H,22,23)/b13-12+
InChIKeyOGEHGZSZLKGBCS-OUKQBFOZSA-N
MW302.38 g/mol
LogP4.45
Rot. Bonds4

About (E)-N-(3-ethylphenyl)-3-quinolin-2-ylprop-2-enamide

(E)-N-(3-ethylphenyl)-3-quinolin-2-ylprop-2-enamide (PubChem CID 25337159) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is (E)-N-(3-ethylphenyl)-3-quinolin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-ethylphenyl)-3-quinolin-2-ylprop-2-enamide
PubChem CID25337159
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name(E)-N-(3-ethylphenyl)-3-quinolin-2-ylprop-2-enamide
SMILESCCc1cccc(NC(=O)/C=C/c2ccc3ccccc3n2)c1
InChIInChI=1S/C20H18N2O/c1-2-15-6-5-8-18(14-15)22-20(23)13-12-17-11-10-16-7-3-4-9-19(16)21-17/h3-14H,2H2,1H3,(H,22,23)/b13-12+
InChIKeyOGEHGZSZLKGBCS-OUKQBFOZSA-N
XLogP4.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.45
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)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 6115822
(Z)-3-(2-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 2169951
(E)-N-butyl-3-quinolin-2-ylprop-2-enamide
CID 30282284
(E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 2591543
(E)-N-(3-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6161453
methyl 4-[(E)-3-(3-ethylanilino)-3-oxoprop-1-enyl]benzoate
CID 26736487
(E)-N-(3-ethylphenyl)-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)prop-2-enamide
CID 8902438
methyl 3-quinolin-2-ylprop-2-enoate
CID 513392
(E)-N,N-diethyl-3-quinolin-2-ylprop-2-enamide
CID 110486560
(E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 78783120
N-(3-ethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 844866
(E)-3-(4-chloro-3-nitrophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 7699851

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-ethylphenyl)-3-quinolin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(3-ethylphenyl)-3-quinolin-2-ylprop-2-enamide (CID 25337159) is (E)-N-(3-ethylphenyl)-3-quinolin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-ethylphenyl)-3-quinolin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(3-ethylphenyl)-3-quinolin-2-ylprop-2-enamide is CCc1cccc(NC(=O)/C=C/c2ccc3ccccc3n2)c1.
What is the InChIKey of (E)-N-(3-ethylphenyl)-3-quinolin-2-ylprop-2-enamide?
The InChIKey is OGEHGZSZLKGBCS-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H18N2O/c1-2-15-6-5-8-18(14-15)22-20(23)13-12-17-11-10-16-7-3-4-9-19(16)21-17/h3-14H,2H2,1H3,(H,22,23)/b13-12+.
What are the key properties of (E)-N-(3-ethylphenyl)-3-quinolin-2-ylprop-2-enamide?
(E)-N-(3-ethylphenyl)-3-quinolin-2-ylprop-2-enamide has a molecular weight of 302.38 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-ethylphenyl)-3-quinolin-2-ylprop-2-enamide is sourced from PubChem (CID 25337159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).