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

C25H18FN5O3 — CID 51369651

IUPACN-(2-fluoro-4-methylphenyl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)cc(-c3nc(-c4ccccn4)no3)c3ccccc32)c(F)c1
InChIInChI=1S/C25H18FN5O3/c1-15-9-10-19(18(26)12-15)28-22(32)14-31-21-8-3-2-6-16(21)17(13-23(31)33)25-29-24(30-34-25)20-7-4-5-11-27-20/h2-13H,14H2,1H3,(H,28,32)
InChIKeyWPAHUVBJYGACEW-UHFFFAOYSA-N
MW455.45 g/mol
LogP4.20
Rot. Bonds5

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

N-(2-fluoro-4-methylphenyl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide (PubChem CID 51369651) has the molecular formula C25H18FN5O3 and a molecular weight of 455.45 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
PubChem CID51369651
Molecular FormulaC25H18FN5O3
Molecular Weight455.45 g/mol
Exact Mass455.14
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)cc(-c3nc(-c4ccccn4)no3)c3ccccc32)c(F)c1
InChIInChI=1S/C25H18FN5O3/c1-15-9-10-19(18(26)12-15)28-22(32)14-31-21-8-3-2-6-16(21)17(13-23(31)33)25-29-24(30-34-25)20-7-4-5-11-27-20/h2-13H,14H2,1H3,(H,28,32)
InChIKeyWPAHUVBJYGACEW-UHFFFAOYSA-N
XLogP4.20
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
The IUPAC name of 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) is N-(2-fluoro-4-methylphenyl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide is Cc1ccc(NC(=O)Cn2c(=O)cc(-c3nc(-c4ccccn4)no3)c3ccccc32)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
The InChIKey is WPAHUVBJYGACEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5O3/c1-15-9-10-19(18(26)12-15)28-22(32)14-31-21-8-3-2-6-16(21)17(13-23(31)33)25-29-24(30-34-25)20-7-4-5-11-27-20/h2-13H,14H2,1H3,(H,28,32).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
N-(2-fluoro-4-methylphenyl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide has a molecular weight of 455.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide is sourced from PubChem (CID 51369651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).