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

C21H18N4O3 — CID 53143783

IUPAC2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1noc(-c2cc(=O)n(CC(=O)Nc3ccccc3C)c3ccccc23)n1
InChIInChI=1S/C21H18N4O3/c1-13-7-3-5-9-17(13)23-19(26)12-25-18-10-6-4-8-15(18)16(11-20(25)27)21-22-14(2)24-28-21/h3-11H,12H2,1-2H3,(H,23,26)
InChIKeyWUQYSIQIXSCAQB-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.31
Rot. Bonds4

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

2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 53143783) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID53143783
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1noc(-c2cc(=O)n(CC(=O)Nc3ccccc3C)c3ccccc23)n1
InChIInChI=1S/C21H18N4O3/c1-13-7-3-5-9-17(13)23-19(26)12-25-18-10-6-4-8-15(18)16(11-20(25)27)21-22-14(2)24-28-21/h3-11H,12H2,1-2H3,(H,23,26)
InChIKeyWUQYSIQIXSCAQB-UHFFFAOYSA-N
XLogP3.31
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide (CID 53143783) is 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide is Cc1noc(-c2cc(=O)n(CC(=O)Nc3ccccc3C)c3ccccc23)n1.
What is the InChIKey of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is WUQYSIQIXSCAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13-7-3-5-9-17(13)23-19(26)12-25-18-10-6-4-8-15(18)16(11-20(25)27)21-22-14(2)24-28-21/h3-11H,12H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide?
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 374.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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-(2-methylphenyl)acetamide is sourced from PubChem (CID 53143783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).