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

C25H17N5O5 — CID 51369634

IUPACN-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
SMILESO=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C25H17N5O5/c31-22(27-15-8-9-20-21(11-15)34-14-33-20)13-30-19-7-2-1-5-16(19)17(12-23(30)32)25-28-24(29-35-25)18-6-3-4-10-26-18/h1-12H,13-14H2,(H,27,31)
InChIKeyLZKHQUHMCLHKQG-UHFFFAOYSA-N
MW467.44 g/mol
LogP3.48
Rot. Bonds5

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

N-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide (PubChem CID 51369634) has the molecular formula C25H17N5O5 and a molecular weight of 467.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
PubChem CID51369634
Molecular FormulaC25H17N5O5
Molecular Weight467.44 g/mol
Exact Mass467.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
SMILESO=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C25H17N5O5/c31-22(27-15-8-9-20-21(11-15)34-14-33-20)13-30-19-7-2-1-5-16(19)17(12-23(30)32)25-28-24(29-35-25)18-6-3-4-10-26-18/h1-12H,13-14H2,(H,27,31)
InChIKeyLZKHQUHMCLHKQG-UHFFFAOYSA-N
XLogP3.48
TPSA121.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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-(2,3-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
N-[(2-methylphenyl)methyl]-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369675
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
ethyl 2-[[2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetyl]amino]acetate
CID 51369703
1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-2-one
CID 51369663
N-(4-fluorophenyl)-2-[2-oxo-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369598
N-(1,3-benzodioxol-5-yl)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 70721336
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46507732
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-(2,4,6-trimethylphenyl)acetamide
CID 53143817
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 51369732

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
The IUPAC name of 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) is N-(1,3-benzodioxol-5-yl)-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-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide is O=C(Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
The InChIKey is LZKHQUHMCLHKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5O5/c31-22(27-15-8-9-20-21(11-15)34-14-33-20)13-30-19-7-2-1-5-16(19)17(12-23(30)32)25-28-24(29-35-25)18-6-3-4-10-26-18/h1-12H,13-14H2,(H,27,31).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide has a molecular weight of 467.44 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide is sourced from PubChem (CID 51369634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).