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

C21H18N4O3 — CID 53143840

IUPACN-benzyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide
SMILESCc1noc(-c2cc(=O)n(CC(=O)NCc3ccccc3)c3ccccc23)n1
InChIInChI=1S/C21H18N4O3/c1-14-23-21(28-24-14)17-11-20(27)25(18-10-6-5-9-16(17)18)13-19(26)22-12-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3,(H,22,26)
InChIKeyRBIYXTGQVZMHSS-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.68
Rot. Bonds5

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

N-benzyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide (PubChem CID 53143840) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-benzyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide
PubChem CID53143840
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-benzyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide
SMILESCc1noc(-c2cc(=O)n(CC(=O)NCc3ccccc3)c3ccccc23)n1
InChIInChI=1S/C21H18N4O3/c1-14-23-21(28-24-14)17-11-20(27)25(18-10-6-5-9-16(17)18)13-19(26)22-12-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3,(H,22,26)
InChIKeyRBIYXTGQVZMHSS-UHFFFAOYSA-N
XLogP2.68
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide (CID 53143840) is N-benzyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide is Cc1noc(-c2cc(=O)n(CC(=O)NCc3ccccc3)c3ccccc23)n1.
What is the InChIKey of N-benzyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide?
The InChIKey is RBIYXTGQVZMHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-14-23-21(28-24-14)17-11-20(27)25(18-10-6-5-9-16(17)18)13-19(26)22-12-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3,(H,22,26).
What are the key properties of N-benzyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide?
N-benzyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide has a molecular weight of 374.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide is sourced from PubChem (CID 53143840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).