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

C16H18N4O — CID 62139228

IUPACN-[[5-(2-methylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nnc(-c2cc(C)nc3ccccc23)o1
InChIInChI=1S/C16H18N4O/c1-3-8-17-10-15-19-20-16(21-15)13-9-11(2)18-14-7-5-4-6-12(13)14/h4-7,9,17H,3,8,10H2,1-2H3
InChIKeyCKBYNDRVXALMLL-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.09
Rot. Bonds5

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

N-[[5-(2-methylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (PubChem CID 62139228) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[[5-(2-methylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-methylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
PubChem CID62139228
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[[5-(2-methylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nnc(-c2cc(C)nc3ccccc23)o1
InChIInChI=1S/C16H18N4O/c1-3-8-17-10-15-19-20-16(21-15)13-9-11(2)18-14-7-5-4-6-12(13)14/h4-7,9,17H,3,8,10H2,1-2H3
InChIKeyCKBYNDRVXALMLL-UHFFFAOYSA-N
XLogP3.09
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

N-[(5-quinolin-5-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 62875418
N-[[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62138861
N-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 60672012
N-[[5-(4-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137390
ethyl 5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole-2-carboxylate
CID 115586995
N-[[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62139410
N-[[5-(2-chloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 81461380
N-[[5-(2-methyl-5-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137568
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 55039594
N-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137383
N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
CID 113405208
N-[[5-(5-ethylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 79084042

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2-methylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine (CID 62139228) is N-[[5-(2-methylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2-methylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2-methylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is CCCNCc1nnc(-c2cc(C)nc3ccccc23)o1.
What is the InChIKey of N-[[5-(2-methylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
The InChIKey is CKBYNDRVXALMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-8-17-10-15-19-20-16(21-15)13-9-11(2)18-14-7-5-4-6-12(13)14/h4-7,9,17H,3,8,10H2,1-2H3.
What are the key properties of N-[[5-(2-methylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine?
N-[[5-(2-methylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine has a molecular weight of 282.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62139228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).