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

C20H16N4O3 — CID 53143782

IUPAC2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-phenylacetamide
SMILESCc1noc(-c2cc(=O)n(CC(=O)Nc3ccccc3)c3ccccc23)n1
InChIInChI=1S/C20H16N4O3/c1-13-21-20(27-23-13)16-11-19(26)24(17-10-6-5-9-15(16)17)12-18(25)22-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,22,25)
InChIKeyKXPPKVKCOPKWJZ-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.00
Rot. Bonds4

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

2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-phenylacetamide (PubChem CID 53143782) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-phenylacetamide
PubChem CID53143782
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-phenylacetamide
SMILESCc1noc(-c2cc(=O)n(CC(=O)Nc3ccccc3)c3ccccc23)n1
InChIInChI=1S/C20H16N4O3/c1-13-21-20(27-23-13)16-11-19(26)24(17-10-6-5-9-15(16)17)12-18(25)22-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,22,25)
InChIKeyKXPPKVKCOPKWJZ-UHFFFAOYSA-N
XLogP3.00
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.00
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-phenylacetamide?
The IUPAC name of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-phenylacetamide (CID 53143782) is 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-phenylacetamide is Cc1noc(-c2cc(=O)n(CC(=O)Nc3ccccc3)c3ccccc23)n1.
What is the InChIKey of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-phenylacetamide?
The InChIKey is KXPPKVKCOPKWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-13-21-20(27-23-13)16-11-19(26)24(17-10-6-5-9-15(16)17)12-18(25)22-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,22,25).
What are the key properties of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-phenylacetamide?
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-phenylacetamide has a molecular weight of 360.37 g/mol, XLogP of 3.00, 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-phenylacetamide is sourced from PubChem (CID 53143782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).