methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate

C26H21FN2O5 — CID 53113586

IUPACmethyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate
SMILESCOC(=O)COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)c3ccccc3OC)cc12
InChIInChI=1S/C26H21FN2O5/c1-32-23-6-4-3-5-19(23)26(31)28-18-11-12-21-20(13-18)24(34-15-25(30)33-2)14-22(29-21)16-7-9-17(27)10-8-16/h3-14H,15H2,1-2H3,(H,28,31)
InChIKeyVKVREQNQQIZRTA-UHFFFAOYSA-N
MW460.46 g/mol
LogP4.85
Rot. Bonds7

About methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate

methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate (PubChem CID 53113586) has the molecular formula C26H21FN2O5 and a molecular weight of 460.46 g/mol. Its IUPAC name is methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate
PubChem CID53113586
Molecular FormulaC26H21FN2O5
Molecular Weight460.46 g/mol
Exact Mass460.14
IUPAC Namemethyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate
SMILESCOC(=O)COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)c3ccccc3OC)cc12
InChIInChI=1S/C26H21FN2O5/c1-32-23-6-4-3-5-19(23)26(31)28-18-11-12-21-20(13-18)24(34-15-25(30)33-2)14-22(29-21)16-7-9-17(27)10-8-16/h3-14H,15H2,1-2H3,(H,28,31)
InChIKeyVKVREQNQQIZRTA-UHFFFAOYSA-N
XLogP4.85
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[6-[(2-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate
CID 53113575
methyl 2-[6-[(2-chlorobenzoyl)amino]-2-phenylquinolin-4-yl]oxyacetate
CID 53113511
methyl 2-[6-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827642
methyl 2-[6-(benzylcarbamoylamino)-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827652
N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide
CID 45499103
3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide
CID 53113478
1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827540
methyl 2-[6-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate
CID 53113515
methyl 2-[6-[(3-chlorobenzoyl)amino]-2-(4-methoxyphenyl)quinolin-4-yl]oxyacetate
CID 53113571
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]benzamide
CID 53001311
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate?
The IUPAC name of methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate (CID 53113586) is methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate.
What is the SMILES notation for methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate?
The canonical SMILES for methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate is COC(=O)COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)c3ccccc3OC)cc12.
What is the InChIKey of methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate?
The InChIKey is VKVREQNQQIZRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O5/c1-32-23-6-4-3-5-19(23)26(31)28-18-11-12-21-20(13-18)24(34-15-25(30)33-2)14-22(29-21)16-7-9-17(27)10-8-16/h3-14H,15H2,1-2H3,(H,28,31).
What are the key properties of methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate?
methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate has a molecular weight of 460.46 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate is sourced from PubChem (CID 53113586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).