ethyl 2-[2-(4-fluorophenyl)-6-(propanoylamino)quinolin-4-yl]oxyacetate

C22H21FN2O4 — CID 53113659

IUPACethyl 2-[2-(4-fluorophenyl)-6-(propanoylamino)quinolin-4-yl]oxyacetate
SMILESCCOC(=O)COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)CC)cc12
InChIInChI=1S/C22H21FN2O4/c1-3-21(26)24-16-9-10-18-17(11-16)20(29-13-22(27)28-4-2)12-19(25-18)14-5-7-15(23)8-6-14/h5-12H,3-4,13H2,1-2H3,(H,24,26)
InChIKeyPZKYQIQVCNPSJD-UHFFFAOYSA-N
MW396.42 g/mol
LogP4.33
Rot. Bonds7

About ethyl 2-[2-(4-fluorophenyl)-6-(propanoylamino)quinolin-4-yl]oxyacetate

ethyl 2-[2-(4-fluorophenyl)-6-(propanoylamino)quinolin-4-yl]oxyacetate (PubChem CID 53113659) has the molecular formula C22H21FN2O4 and a molecular weight of 396.42 g/mol. Its IUPAC name is ethyl 2-[2-(4-fluorophenyl)-6-(propanoylamino)quinolin-4-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-fluorophenyl)-6-(propanoylamino)quinolin-4-yl]oxyacetate
PubChem CID53113659
Molecular FormulaC22H21FN2O4
Molecular Weight396.42 g/mol
Exact Mass396.15
IUPAC Nameethyl 2-[2-(4-fluorophenyl)-6-(propanoylamino)quinolin-4-yl]oxyacetate
SMILESCCOC(=O)COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)CC)cc12
InChIInChI=1S/C22H21FN2O4/c1-3-21(26)24-16-9-10-18-17(11-16)20(29-13-22(27)28-4-2)12-19(25-18)14-5-7-15(23)8-6-14/h5-12H,3-4,13H2,1-2H3,(H,24,26)
InChIKeyPZKYQIQVCNPSJD-UHFFFAOYSA-N
XLogP4.33
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[6-(benzylcarbamoylamino)-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827545
ethyl 2-[6-[(4-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385090
ethyl 2-[6-[(2,5-difluorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385093
methyl 2-[6-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827642
ethyl 4-[2-(4-acetylanilino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 46298879
methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate
CID 53113586
N-(4-fluorophenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
CID 46298901
1-(2,4-dimethylphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea
CID 50827596
methyl 2-[6-(benzylcarbamoylamino)-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827652
methyl 2-[2-(4-chlorophenyl)-6-[(2-methoxyacetyl)amino]quinolin-4-yl]oxyacetate
CID 53113644
1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827540
2-(6-fluoro-2-phenylquinolin-4-yl)oxy-N-phenylacetamide
CID 46298801

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-fluorophenyl)-6-(propanoylamino)quinolin-4-yl]oxyacetate?
The IUPAC name of ethyl 2-[2-(4-fluorophenyl)-6-(propanoylamino)quinolin-4-yl]oxyacetate (CID 53113659) is ethyl 2-[2-(4-fluorophenyl)-6-(propanoylamino)quinolin-4-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[2-(4-fluorophenyl)-6-(propanoylamino)quinolin-4-yl]oxyacetate?
The canonical SMILES for ethyl 2-[2-(4-fluorophenyl)-6-(propanoylamino)quinolin-4-yl]oxyacetate is CCOC(=O)COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)CC)cc12.
What is the InChIKey of ethyl 2-[2-(4-fluorophenyl)-6-(propanoylamino)quinolin-4-yl]oxyacetate?
The InChIKey is PZKYQIQVCNPSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4/c1-3-21(26)24-16-9-10-18-17(11-16)20(29-13-22(27)28-4-2)12-19(25-18)14-5-7-15(23)8-6-14/h5-12H,3-4,13H2,1-2H3,(H,24,26).
What are the key properties of ethyl 2-[2-(4-fluorophenyl)-6-(propanoylamino)quinolin-4-yl]oxyacetate?
ethyl 2-[2-(4-fluorophenyl)-6-(propanoylamino)quinolin-4-yl]oxyacetate has a molecular weight of 396.42 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-fluorophenyl)-6-(propanoylamino)quinolin-4-yl]oxyacetate is sourced from PubChem (CID 53113659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).