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

C16H18N4O — CID 114754512

IUPAC3-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCc1cc(-c2noc(C(C)CCN)n2)nc2ccccc12
InChIInChI=1S/C16H18N4O/c1-10(7-8-17)16-19-15(20-21-16)14-9-11(2)12-5-3-4-6-13(12)18-14/h3-6,9-10H,7-8,17H2,1-2H3
InChIKeyVHLNMCXNVCCRQQ-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.05
Rot. Bonds4

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

3-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 114754512) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name3-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID114754512
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCc1cc(-c2noc(C(C)CCN)n2)nc2ccccc12
InChIInChI=1S/C16H18N4O/c1-10(7-8-17)16-19-15(20-21-16)14-9-11(2)12-5-3-4-6-13(12)18-14/h3-6,9-10H,7-8,17H2,1-2H3
InChIKeyVHLNMCXNVCCRQQ-UHFFFAOYSA-N
XLogP3.05
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 114755531
3-[3-(5-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 112751512
N-(2-methylpropyl)-3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-amine
CID 114755467
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539787
2-methyl-1-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 114754519
3-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836904
3-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539968
1-[2-(4-methylquinolin-2-yl)pyrimidin-4-yl]propan-2-amine
CID 114755499
5-bromo-3-(4-methylquinolin-2-yl)-1,2,4-thiadiazole
CID 102617864
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentanenitrile
CID 106523647
3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539973
4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685803

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of 3-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 114754512) is 3-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for 3-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for 3-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is Cc1cc(-c2noc(C(C)CCN)n2)nc2ccccc12.
What is the InChIKey of 3-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is VHLNMCXNVCCRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10(7-8-17)16-19-15(20-21-16)14-9-11(2)12-5-3-4-6-13(12)18-14/h3-6,9-10H,7-8,17H2,1-2H3.
What are the key properties of 3-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
3-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 282.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylquinolin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 114754512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).