[2-(2-ethoxyanilino)-2-oxoethyl] 3-quinolin-2-ylprop-2-enoate

C22H20N2O4 — CID 71953117

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 3-quinolin-2-ylprop-2-enoate
SMILESCCOc1ccccc1NC(=O)COC(=O)C=Cc1ccc2ccccc2n1
InChIInChI=1S/C22H20N2O4/c1-2-27-20-10-6-5-9-19(20)24-21(25)15-28-22(26)14-13-17-12-11-16-7-3-4-8-18(16)23-17/h3-14H,2,15H2,1H3,(H,24,25)
InChIKeyHUYLTJHFDAVHOM-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.83
Rot. Bonds7

About [2-(2-ethoxyanilino)-2-oxoethyl] 3-quinolin-2-ylprop-2-enoate

[2-(2-ethoxyanilino)-2-oxoethyl] 3-quinolin-2-ylprop-2-enoate (PubChem CID 71953117) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 3-quinolin-2-ylprop-2-enoate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 3-quinolin-2-ylprop-2-enoate
PubChem CID71953117
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 3-quinolin-2-ylprop-2-enoate
SMILESCCOc1ccccc1NC(=O)COC(=O)C=Cc1ccc2ccccc2n1
InChIInChI=1S/C22H20N2O4/c1-2-27-20-10-6-5-9-19(20)24-21(25)15-28-22(26)14-13-17-12-11-16-7-3-4-8-18(16)23-17/h3-14H,2,15H2,1H3,(H,24,25)
InChIKeyHUYLTJHFDAVHOM-UHFFFAOYSA-N
XLogP3.83
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541651
[2-(2-ethoxyanilino)-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate
CID 7850119
[2-(tert-butylamino)-2-oxoethyl] (E)-3-quinolin-2-ylprop-2-enoate
CID 46795843
methyl 4-[[2-[(E)-3-quinolin-2-ylprop-2-enoyl]oxyacetyl]amino]benzoate
CID 40585025
methyl 3-quinolin-2-ylprop-2-enoate
CID 513392
[2-(2-ethoxyanilino)-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 2587262
[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] (E)-3-quinolin-2-ylprop-2-enoate
CID 8848437
[2-(2-methylanilino)-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7850813
[2-(2-ethoxyanilino)-2-oxoethyl] (E)-3-(2-chloro-6-fluorophenyl)prop-2-enoate
CID 7709550
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] (E)-3-quinolin-2-ylprop-2-enoate
CID 55326296
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] (E)-3-quinolin-2-ylprop-2-enoate
CID 55326250
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-quinolin-2-ylprop-2-enoate
CID 4855684

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 3-quinolin-2-ylprop-2-enoate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 3-quinolin-2-ylprop-2-enoate (CID 71953117) is [2-(2-ethoxyanilino)-2-oxoethyl] 3-quinolin-2-ylprop-2-enoate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 3-quinolin-2-ylprop-2-enoate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 3-quinolin-2-ylprop-2-enoate is CCOc1ccccc1NC(=O)COC(=O)C=Cc1ccc2ccccc2n1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 3-quinolin-2-ylprop-2-enoate?
The InChIKey is HUYLTJHFDAVHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-2-27-20-10-6-5-9-19(20)24-21(25)15-28-22(26)14-13-17-12-11-16-7-3-4-8-18(16)23-17/h3-14H,2,15H2,1H3,(H,24,25).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 3-quinolin-2-ylprop-2-enoate?
[2-(2-ethoxyanilino)-2-oxoethyl] 3-quinolin-2-ylprop-2-enoate has a molecular weight of 376.41 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 3-quinolin-2-ylprop-2-enoate is sourced from PubChem (CID 71953117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).