N-(4-fluorophenyl)-2-[2-oxo-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide

C24H16FN5O3 — CID 51369598

IUPACN-(4-fluorophenyl)-2-[2-oxo-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
SMILESO=C(Cn1c(=O)cc(-c2nc(-c3cccnc3)no2)c2ccccc21)Nc1ccc(F)cc1
InChIInChI=1S/C24H16FN5O3/c25-16-7-9-17(10-8-16)27-21(31)14-30-20-6-2-1-5-18(20)19(12-22(30)32)24-28-23(29-33-24)15-4-3-11-26-13-15/h1-13H,14H2,(H,27,31)
InChIKeyILKKGSIWLMYOFY-UHFFFAOYSA-N
MW441.42 g/mol
LogP3.89
Rot. Bonds5

About N-(4-fluorophenyl)-2-[2-oxo-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide

N-(4-fluorophenyl)-2-[2-oxo-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide (PubChem CID 51369598) has the molecular formula C24H16FN5O3 and a molecular weight of 441.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-oxo-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-oxo-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
PubChem CID51369598
Molecular FormulaC24H16FN5O3
Molecular Weight441.42 g/mol
Exact Mass441.12
IUPAC NameN-(4-fluorophenyl)-2-[2-oxo-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
SMILESO=C(Cn1c(=O)cc(-c2nc(-c3cccnc3)no2)c2ccccc21)Nc1ccc(F)cc1
InChIInChI=1S/C24H16FN5O3/c25-16-7-9-17(10-8-16)27-21(31)14-30-20-6-2-1-5-18(20)19(12-22(30)32)24-28-23(29-33-24)15-4-3-11-26-13-15/h1-13H,14H2,(H,27,31)
InChIKeyILKKGSIWLMYOFY-UHFFFAOYSA-N
XLogP3.89
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-oxo-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369510
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46507732
N-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369634
N-[(2-methoxyphenyl)methyl]-2-[2-oxo-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369555
N-(4-fluoro-2-methylphenyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 53143832
N-(2-fluoro-4-methylphenyl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369651
2-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1-pyridinyl]-N-phenylacetamide
CID 53141559
N-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369359
N-(2-ethylphenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide
CID 53143785
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(2,4-difluorophenyl)methyl]acetamide
CID 51369471
N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052508
1-(4-fluorophenyl)-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 71800527

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-oxo-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-oxo-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide (CID 51369598) is N-(4-fluorophenyl)-2-[2-oxo-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-oxo-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-oxo-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide is O=C(Cn1c(=O)cc(-c2nc(-c3cccnc3)no2)c2ccccc21)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-oxo-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
The InChIKey is ILKKGSIWLMYOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN5O3/c25-16-7-9-17(10-8-16)27-21(31)14-30-20-6-2-1-5-18(20)19(12-22(30)32)24-28-23(29-33-24)15-4-3-11-26-13-15/h1-13H,14H2,(H,27,31).
What are the key properties of N-(4-fluorophenyl)-2-[2-oxo-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[2-oxo-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide has a molecular weight of 441.42 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-oxo-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide is sourced from PubChem (CID 51369598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).