ethyl 2-[6-[(4-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate

C27H24FN3O4 — CID 46385090

IUPACethyl 2-[6-[(4-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
SMILESCCOC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)NCc3ccc(F)cc3)cc12
InChIInChI=1S/C27H24FN3O4/c1-2-34-26(32)17-35-25-15-24(19-6-4-3-5-7-19)31-23-13-12-21(14-22(23)25)30-27(33)29-16-18-8-10-20(28)11-9-18/h3-15H,2,16-17H2,1H3,(H2,29,30,33)
InChIKeyYWBMYKZUNYWYCH-UHFFFAOYSA-N
MW473.50 g/mol
LogP5.30
Rot. Bonds8

About ethyl 2-[6-[(4-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate

ethyl 2-[6-[(4-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate (PubChem CID 46385090) has the molecular formula C27H24FN3O4 and a molecular weight of 473.50 g/mol. Its IUPAC name is ethyl 2-[6-[(4-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[6-[(4-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
PubChem CID46385090
Molecular FormulaC27H24FN3O4
Molecular Weight473.50 g/mol
Exact Mass473.18
IUPAC Nameethyl 2-[6-[(4-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
SMILESCCOC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)NCc3ccc(F)cc3)cc12
InChIInChI=1S/C27H24FN3O4/c1-2-34-26(32)17-35-25-15-24(19-6-4-3-5-7-19)31-23-13-12-21(14-22(23)25)30-27(33)29-16-18-8-10-20(28)11-9-18/h3-15H,2,16-17H2,1H3,(H2,29,30,33)
InChIKeyYWBMYKZUNYWYCH-UHFFFAOYSA-N
XLogP5.30
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.50
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[6-(benzylcarbamoylamino)-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827545
methyl 2-[6-(benzylcarbamoylamino)-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827652
ethyl 2-[6-[(2,5-difluorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385093
methyl 2-[6-[(3-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385080
ethyl 2-[2-(4-fluorophenyl)-6-(propanoylamino)quinolin-4-yl]oxyacetate
CID 53113659
methyl 2-[6-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827642
ethyl 4-[2-(benzylamino)-2-oxoethoxy]-2-(4-fluorophenyl)quinoline-6-carboxylate
CID 46298865
methyl 2-[6-[(2-ethoxyphenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385068
1-benzyl-3-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827654
methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate
CID 53113586
methyl 2-[6-[(4-chlorophenyl)carbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385061
1-[(4-fluorophenyl)methyl]-3-(4-morpholin-4-yl-2-phenylquinolin-6-yl)urea
CID 50836351

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-[(4-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate?
The IUPAC name of ethyl 2-[6-[(4-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate (CID 46385090) is ethyl 2-[6-[(4-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[6-[(4-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate?
The canonical SMILES for ethyl 2-[6-[(4-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate is CCOC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)NCc3ccc(F)cc3)cc12.
What is the InChIKey of ethyl 2-[6-[(4-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate?
The InChIKey is YWBMYKZUNYWYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O4/c1-2-34-26(32)17-35-25-15-24(19-6-4-3-5-7-19)31-23-13-12-21(14-22(23)25)30-27(33)29-16-18-8-10-20(28)11-9-18/h3-15H,2,16-17H2,1H3,(H2,29,30,33).
What are the key properties of ethyl 2-[6-[(4-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate?
ethyl 2-[6-[(4-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate has a molecular weight of 473.50 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-[(4-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate is sourced from PubChem (CID 46385090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).