2-methoxy-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

C15H16N4O2 — CID 63758119

IUPAC2-methoxy-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCOCCNCc1nc(-c2ccc3ccccc3n2)no1
InChIInChI=1S/C15H16N4O2/c1-20-9-8-16-10-14-18-15(19-21-14)13-7-6-11-4-2-3-5-12(11)17-13/h2-7,16H,8-10H2,1H3
InChIKeyVIBIKOHJAAWEPR-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.02
Rot. Bonds6

About 2-methoxy-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

2-methoxy-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 63758119) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-methoxy-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID63758119
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-methoxy-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCOCCNCc1nc(-c2ccc3ccccc3n2)no1
InChIInChI=1S/C15H16N4O2/c1-20-9-8-16-10-14-18-15(19-21-14)13-7-6-11-4-2-3-5-12(11)17-13/h2-7,16H,8-10H2,1H3
InChIKeyVIBIKOHJAAWEPR-UHFFFAOYSA-N
XLogP2.02
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60646666
2-methoxy-N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 63771663
2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride
CID 119947767
2-methoxy-N-[(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 63758117
5-[1-(2-methoxyethyl)cyclopropyl]-3-quinolin-2-yl-1,2,4-oxadiazole
CID 166213332
1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63349453
N-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
CID 63757605
N-[[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 137076816
N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
CID 63758469
N-[[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
CID 79786407
N-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
CID 63757774
2-methoxy-N-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116703910

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 63758119) is 2-methoxy-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is COCCNCc1nc(-c2ccc3ccccc3n2)no1.
What is the InChIKey of 2-methoxy-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is VIBIKOHJAAWEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-20-9-8-16-10-14-18-15(19-21-14)13-7-6-11-4-2-3-5-12(11)17-13/h2-7,16H,8-10H2,1H3.
What are the key properties of 2-methoxy-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
2-methoxy-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 284.32 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 63758119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).