ethyl 2-[6-[(2,5-difluorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate

C26H21F2N3O4 — CID 46385093

IUPACethyl 2-[6-[(2,5-difluorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
SMILESCCOC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3cc(F)ccc3F)cc12
InChIInChI=1S/C26H21F2N3O4/c1-2-34-25(32)15-35-24-14-22(16-6-4-3-5-7-16)30-21-11-9-18(13-19(21)24)29-26(33)31-23-12-17(27)8-10-20(23)28/h3-14H,2,15H2,1H3,(H2,29,31,33)
InChIKeyZUKZQLKARLJPFY-UHFFFAOYSA-N
MW477.47 g/mol
LogP5.77
Rot. Bonds7

About ethyl 2-[6-[(2,5-difluorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate

ethyl 2-[6-[(2,5-difluorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate (PubChem CID 46385093) has the molecular formula C26H21F2N3O4 and a molecular weight of 477.47 g/mol. Its IUPAC name is ethyl 2-[6-[(2,5-difluorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[6-[(2,5-difluorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
PubChem CID46385093
Molecular FormulaC26H21F2N3O4
Molecular Weight477.47 g/mol
Exact Mass477.15
IUPAC Nameethyl 2-[6-[(2,5-difluorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
SMILESCCOC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3cc(F)ccc3F)cc12
InChIInChI=1S/C26H21F2N3O4/c1-2-34-25(32)15-35-24-14-22(16-6-4-3-5-7-16)30-21-11-9-18(13-19(21)24)29-26(33)31-23-12-17(27)8-10-20(23)28/h3-14H,2,15H2,1H3,(H2,29,31,33)
InChIKeyZUKZQLKARLJPFY-UHFFFAOYSA-N
XLogP5.77
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.47
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[6-[(4-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385090
ethyl 2-[6-(benzylcarbamoylamino)-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827545
methyl 2-[6-[(2-ethoxyphenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385068
ethyl 2-[2-(4-fluorophenyl)-6-(propanoylamino)quinolin-4-yl]oxyacetate
CID 53113659
methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385061
methyl 2-[6-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827642
1-(2,4-dimethylphenyl)-3-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]urea
CID 50827596
methyl 2-[6-[(3-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385080
methyl 2-[6-(benzylcarbamoylamino)-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827652
1-[4-ethoxy-2-(4-methylphenyl)quinolin-6-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 50828262
1-(4-ethoxy-2-phenylquinolin-6-yl)-3-(3-methoxyphenyl)urea
CID 46385044
1-[2-(3-chlorophenyl)-4-ethoxyquinolin-6-yl]-3-(3-fluoro-4-methylphenyl)urea
CID 46385124

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-[(2,5-difluorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate?
The IUPAC name of ethyl 2-[6-[(2,5-difluorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate (CID 46385093) is ethyl 2-[6-[(2,5-difluorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[6-[(2,5-difluorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate?
The canonical SMILES for ethyl 2-[6-[(2,5-difluorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate is CCOC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3cc(F)ccc3F)cc12.
What is the InChIKey of ethyl 2-[6-[(2,5-difluorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate?
The InChIKey is ZUKZQLKARLJPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N3O4/c1-2-34-25(32)15-35-24-14-22(16-6-4-3-5-7-16)30-21-11-9-18(13-19(21)24)29-26(33)31-23-12-17(27)8-10-20(23)28/h3-14H,2,15H2,1H3,(H2,29,31,33).
What are the key properties of ethyl 2-[6-[(2,5-difluorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate?
ethyl 2-[6-[(2,5-difluorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate has a molecular weight of 477.47 g/mol, XLogP of 5.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-[(2,5-difluorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate is sourced from PubChem (CID 46385093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).