2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide

C22H20N4O3S — CID 53143847

IUPAC2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCSc1ccc(CNC(=O)Cn2c(=O)cc(-c3nc(C)no3)c3ccccc32)cc1
InChIInChI=1S/C22H20N4O3S/c1-14-24-22(29-25-14)18-11-21(28)26(19-6-4-3-5-17(18)19)13-20(27)23-12-15-7-9-16(30-2)10-8-15/h3-11H,12-13H2,1-2H3,(H,23,27)
InChIKeyAGICDJVPZCAOAS-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.40
Rot. Bonds6

About 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide

2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide (PubChem CID 53143847) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide
PubChem CID53143847
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCSc1ccc(CNC(=O)Cn2c(=O)cc(-c3nc(C)no3)c3ccccc32)cc1
InChIInChI=1S/C22H20N4O3S/c1-14-24-22(29-25-14)18-11-21(28)26(19-6-4-3-5-17(18)19)13-20(27)23-12-15-7-9-16(30-2)10-8-15/h3-11H,12-13H2,1-2H3,(H,23,27)
InChIKeyAGICDJVPZCAOAS-UHFFFAOYSA-N
XLogP3.40
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide with MolForge

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Related Compounds

N-(2-ethylphenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide
CID 53143785
methyl 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetyl]amino]benzoate
CID 51369342
N-[(4-bromophenyl)methyl]-2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide
CID 51369476
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-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide
CID 51369473
N-[(2-chlorophenyl)methyl]-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369396
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(2,4-difluorophenyl)methyl]acetamide
CID 51369471
ethyl 2-[[2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetyl]amino]acetate
CID 51369703
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-(oxolan-2-ylmethyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369407
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 53143817

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide (CID 53143847) is 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide is CSc1ccc(CNC(=O)Cn2c(=O)cc(-c3nc(C)no3)c3ccccc32)cc1.
What is the InChIKey of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The InChIKey is AGICDJVPZCAOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-14-24-22(29-25-14)18-11-21(28)26(19-6-4-3-5-17(18)19)13-20(27)23-12-15-7-9-16(30-2)10-8-15/h3-11H,12-13H2,1-2H3,(H,23,27).
What are the key properties of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide?
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide has a molecular weight of 420.49 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide is sourced from PubChem (CID 53143847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).