N-[2-[5-(2-methylquinolin-8-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

C17H18N4O2 — CID 71874129

IUPACN-[2-[5-(2-methylquinolin-8-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(-c2cccc3ccc(C)nc23)n1
InChIInChI=1S/C17H18N4O2/c1-10-8-9-12-6-5-7-13(14(12)18-10)15-19-16(21-23-15)17(3,4)20-11(2)22/h5-9H,1-4H3,(H,20,22)
InChIKeySADVSKQCEYVADC-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.96
Rot. Bonds3

About N-[2-[5-(2-methylquinolin-8-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

N-[2-[5-(2-methylquinolin-8-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (PubChem CID 71874129) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[2-[5-(2-methylquinolin-8-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(2-methylquinolin-8-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
PubChem CID71874129
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[2-[5-(2-methylquinolin-8-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(-c2cccc3ccc(C)nc23)n1
InChIInChI=1S/C17H18N4O2/c1-10-8-9-12-6-5-7-13(14(12)18-10)15-19-16(21-23-15)17(3,4)20-11(2)22/h5-9H,1-4H3,(H,20,22)
InChIKeySADVSKQCEYVADC-UHFFFAOYSA-N
XLogP2.96
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-methylquinolin-8-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[5-(2-methylquinolin-8-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (CID 71874129) is N-[2-[5-(2-methylquinolin-8-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[5-(2-methylquinolin-8-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[5-(2-methylquinolin-8-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1noc(-c2cccc3ccc(C)nc23)n1.
What is the InChIKey of N-[2-[5-(2-methylquinolin-8-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The InChIKey is SADVSKQCEYVADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-10-8-9-12-6-5-7-13(14(12)18-10)15-19-16(21-23-15)17(3,4)20-11(2)22/h5-9H,1-4H3,(H,20,22).
What are the key properties of N-[2-[5-(2-methylquinolin-8-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
N-[2-[5-(2-methylquinolin-8-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide has a molecular weight of 310.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-methylquinolin-8-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is sourced from PubChem (CID 71874129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).