(5-fluoroquinolin-8-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate

C25H19FN2O4 — CID 55648920

IUPAC(5-fluoroquinolin-8-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCc1ccc(F)c2cccnc12
InChIInChI=1S/C25H19FN2O4/c26-22-13-10-18(24-21(22)7-4-14-27-24)16-31-23(29)15-28-25(30)17-8-11-20(12-9-17)32-19-5-2-1-3-6-19/h1-14H,15-16H2,(H,28,30)
InChIKeySZTFZVRIXRKCQJ-UHFFFAOYSA-N
MW430.44 g/mol
LogP4.64
Rot. Bonds7

About (5-fluoroquinolin-8-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate

(5-fluoroquinolin-8-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate (PubChem CID 55648920) has the molecular formula C25H19FN2O4 and a molecular weight of 430.44 g/mol. Its IUPAC name is (5-fluoroquinolin-8-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(5-fluoroquinolin-8-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate
PubChem CID55648920
Molecular FormulaC25H19FN2O4
Molecular Weight430.44 g/mol
Exact Mass430.13
IUPAC Name(5-fluoroquinolin-8-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCc1ccc(F)c2cccnc12
InChIInChI=1S/C25H19FN2O4/c26-22-13-10-18(24-21(22)7-4-14-27-24)16-31-23(29)15-28-25(30)17-8-11-20(12-9-17)32-19-5-2-1-3-6-19/h1-14H,15-16H2,(H,28,30)
InChIKeySZTFZVRIXRKCQJ-UHFFFAOYSA-N
XLogP4.64
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833308
[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 16530168
(2-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 2554022
[2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833383
2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833306
(5-chlorothiadiazol-4-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 46617152
(5-fluoroquinolin-8-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 55649316
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790244
N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]-4-phenoxybenzamide
CID 9333080
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 18266905
[4-[(5-fluoroquinolin-8-yl)methoxy]phenyl]methanol
CID 110889549
3-(4-fluorophenoxy)propyl 2-benzamidoacetate
CID 7889609

Frequently Asked Questions

What is the IUPAC name of (5-fluoroquinolin-8-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate?
The IUPAC name of (5-fluoroquinolin-8-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate (CID 55648920) is (5-fluoroquinolin-8-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate.
What is the SMILES notation for (5-fluoroquinolin-8-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate?
The canonical SMILES for (5-fluoroquinolin-8-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCc1ccc(F)c2cccnc12.
What is the InChIKey of (5-fluoroquinolin-8-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate?
The InChIKey is SZTFZVRIXRKCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O4/c26-22-13-10-18(24-21(22)7-4-14-27-24)16-31-23(29)15-28-25(30)17-8-11-20(12-9-17)32-19-5-2-1-3-6-19/h1-14H,15-16H2,(H,28,30).
What are the key properties of (5-fluoroquinolin-8-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate?
(5-fluoroquinolin-8-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate has a molecular weight of 430.44 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoroquinolin-8-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate is sourced from PubChem (CID 55648920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).