N-ethyl-1-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)propan-1-amine

C16H18N4O — CID 62858258

IUPACN-ethyl-1-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
SMILESCCNC(CC)c1nnc(-c2ccc3ncccc3c2)o1
InChIInChI=1S/C16H18N4O/c1-3-13(17-4-2)16-20-19-15(21-16)12-7-8-14-11(10-12)6-5-9-18-14/h5-10,13,17H,3-4H2,1-2H3
InChIKeyLMLBQGWVFXQXEG-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.35
Rot. Bonds5

About N-ethyl-1-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)propan-1-amine

N-ethyl-1-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)propan-1-amine (PubChem CID 62858258) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-ethyl-1-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
PubChem CID62858258
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-ethyl-1-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
SMILESCCNC(CC)c1nnc(-c2ccc3ncccc3c2)o1
InChIInChI=1S/C16H18N4O/c1-3-13(17-4-2)16-20-19-15(21-16)12-7-8-14-11(10-12)6-5-9-18-14/h5-10,13,17H,3-4H2,1-2H3
InChIKeyLMLBQGWVFXQXEG-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 55124400
1-[5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 107993123
N-ethyl-1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine
CID 62635651
5-quinolin-6-yl-1,3,4-oxadiazol-2-amine
CID 62850439
4-[5-[1-(ethylamino)propyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 114039886
N-ethyl-1-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 114822856
1-[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 62857111
2-(2-chloroethyl)-5-quinolin-6-yl-1,3,4-oxadiazole
CID 62850239
1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857467
N-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62858439
1-[5-(3-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857793
1-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 63195353

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)propan-1-amine (CID 62858258) is N-ethyl-1-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)propan-1-amine is CCNC(CC)c1nnc(-c2ccc3ncccc3c2)o1.
What is the InChIKey of N-ethyl-1-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)propan-1-amine?
The InChIKey is LMLBQGWVFXQXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-13(17-4-2)16-20-19-15(21-16)12-7-8-14-11(10-12)6-5-9-18-14/h5-10,13,17H,3-4H2,1-2H3.
What are the key properties of N-ethyl-1-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)propan-1-amine?
N-ethyl-1-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)propan-1-amine has a molecular weight of 282.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)propan-1-amine is sourced from PubChem (CID 62858258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).