2-methyl-1-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine

C16H18N4O — CID 114754519

IUPAC2-methyl-1-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCc1cc(-c2noc(CC(C)(C)N)n2)nc2ccccc12
InChIInChI=1S/C16H18N4O/c1-10-8-13(18-12-7-5-4-6-11(10)12)15-19-14(21-20-15)9-16(2,3)17/h4-8H,9,17H2,1-3H3
InChIKeyDZIHYUJPQCXXCK-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.87
Rot. Bonds3

About 2-methyl-1-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine

2-methyl-1-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 114754519) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-methyl-1-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID114754519
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-methyl-1-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCc1cc(-c2noc(CC(C)(C)N)n2)nc2ccccc12
InChIInChI=1S/C16H18N4O/c1-10-8-13(18-12-7-5-4-6-11(10)12)15-19-14(21-20-15)9-16(2,3)17/h4-8H,9,17H2,1-3H3
InChIKeyDZIHYUJPQCXXCK-UHFFFAOYSA-N
XLogP2.87
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-amine
CID 114755467
3-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 114754512
1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 103372818
3-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 114755531
2-(4-methylquinolin-2-yl)pyrimidin-4-amine
CID 114755416
4-methyl-2-(2,3,4,5-tetramethylphenyl)quinoline
CID 59348556
1-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64672459
1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64673410
2-[5-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 154841410
2-(4-methylquinolin-2-yl)-6-propylpyrimidin-4-amine
CID 114755413
5-bromo-3-(4-methylquinolin-2-yl)-1,2,4-thiadiazole
CID 102617864
4-methyl-6-(4-methylquinolin-2-yl)-1,3,5-triazin-2-amine
CID 114755546

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 2-methyl-1-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 114754519) is 2-methyl-1-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine is Cc1cc(-c2noc(CC(C)(C)N)n2)nc2ccccc12.
What is the InChIKey of 2-methyl-1-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is DZIHYUJPQCXXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-8-13(18-12-7-5-4-6-11(10)12)15-19-14(21-20-15)9-16(2,3)17/h4-8H,9,17H2,1-3H3.
What are the key properties of 2-methyl-1-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
2-methyl-1-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 282.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 114754519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).