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

C23H20N4O5 — CID 51369359

IUPACN-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
SMILESCC(C)c1noc(-c2cc(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)n1
InChIInChI=1S/C23H20N4O5/c1-13(2)22-25-23(32-26-22)16-10-21(29)27(17-6-4-3-5-15(16)17)11-20(28)24-14-7-8-18-19(9-14)31-12-30-18/h3-10,13H,11-12H2,1-2H3,(H,24,28)
InChIKeyKWAFHJUIXWPPDA-UHFFFAOYSA-N
MW432.44 g/mol
LogP3.54
Rot. Bonds5

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

N-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide (PubChem CID 51369359) has the molecular formula C23H20N4O5 and a molecular weight of 432.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-propan-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-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
PubChem CID51369359
Molecular FormulaC23H20N4O5
Molecular Weight432.44 g/mol
Exact Mass432.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
SMILESCC(C)c1noc(-c2cc(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)n1
InChIInChI=1S/C23H20N4O5/c1-13(2)22-25-23(32-26-22)16-10-21(29)27(17-6-4-3-5-15(16)17)11-20(28)24-14-7-8-18-19(9-14)31-12-30-18/h3-10,13H,11-12H2,1-2H3,(H,24,28)
InChIKeyKWAFHJUIXWPPDA-UHFFFAOYSA-N
XLogP3.54
TPSA108.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-(2,3-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-(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-chlorophenyl)methyl]-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369396
N-(oxolan-2-ylmethyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369407
N-(1,3-benzodioxol-5-yl)-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028639
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-[(1R)-1-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 41184023
N-(4-fluorophenyl)-2-[2-oxo-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369598
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-propan-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-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide (CID 51369359) is N-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-propan-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-propan-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-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide is CC(C)c1noc(-c2cc(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
The InChIKey is KWAFHJUIXWPPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5/c1-13(2)22-25-23(32-26-22)16-10-21(29)27(17-6-4-3-5-15(16)17)11-20(28)24-14-7-8-18-19(9-14)31-12-30-18/h3-10,13H,11-12H2,1-2H3,(H,24,28).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide has a molecular weight of 432.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide is sourced from PubChem (CID 51369359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).