N-[(8-methoxyquinolin-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine

C15H16N4O2 — CID 106395260

IUPACN-[(8-methoxyquinolin-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCOc1cccc2ccc(CNCCc3ncno3)nc12
InChIInChI=1S/C15H16N4O2/c1-20-13-4-2-3-11-5-6-12(19-15(11)13)9-16-8-7-14-17-10-18-21-14/h2-6,10,16H,7-9H2,1H3
InChIKeyCIABYVRRIRAQMP-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.96
Rot. Bonds6

About N-[(8-methoxyquinolin-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine

N-[(8-methoxyquinolin-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 106395260) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[(8-methoxyquinolin-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(8-methoxyquinolin-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID106395260
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-[(8-methoxyquinolin-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCOc1cccc2ccc(CNCCc3ncno3)nc12
InChIInChI=1S/C15H16N4O2/c1-20-13-4-2-3-11-5-6-12(19-15(11)13)9-16-8-7-14-17-10-18-21-14/h2-6,10,16H,7-9H2,1H3
InChIKeyCIABYVRRIRAQMP-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
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

N-(2-methoxyphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 56658549
N-(2-methoxyphenyl)-4-(3-quinolin-3-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 56662005
N-(5-methyl-1,2-oxazol-3-yl)-2-quinolin-8-yloxyacetamide
CID 2128923
N-[[1-[4-(benzylamino)-8-methoxyquinazolin-2-yl]indol-2-yl]methyl]acetamide
CID 89928077
N-(2-imidazol-1-ylethyl)-4-methoxyacridin-9-amine
CID 45482971
N-(2-methoxyphenyl)-3-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 56675785
N-(2-methoxyphenyl)-3-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 56682401
N-{2-[5-(8-methoxyquinolin-2-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}acetamide
CID 50976629
N-[(3R,4S)-1-(8-methoxy-4-methylquinolin-2-yl)-4-propylpyrrolidin-3-yl]acetamide
CID 164632484
6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-4-amine
CID 155339833
6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-amine
CID 155339871
6-(3-fluoro-5-methyl-2-pyridinyl)-8-methoxy-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]quinazolin-4-amine
CID 155339972

Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxyquinolin-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[(8-methoxyquinolin-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (CID 106395260) is N-[(8-methoxyquinolin-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(8-methoxyquinolin-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[(8-methoxyquinolin-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine is COc1cccc2ccc(CNCCc3ncno3)nc12.
What is the InChIKey of N-[(8-methoxyquinolin-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is CIABYVRRIRAQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-20-13-4-2-3-11-5-6-12(19-15(11)13)9-16-8-7-14-17-10-18-21-14/h2-6,10,16H,7-9H2,1H3.
What are the key properties of N-[(8-methoxyquinolin-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
N-[(8-methoxyquinolin-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 284.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxyquinolin-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 106395260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).