1-[5-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C21H24N4O — CID 120850850

IUPAC1-[5-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1cc(C)c2nc(C3CC3)cc(-c3nc(C4(N)CCCC4)no3)c2c1
InChIInChI=1S/C21H24N4O/c1-12-9-13(2)18-15(10-12)16(11-17(23-18)14-5-6-14)19-24-20(25-26-19)21(22)7-3-4-8-21/h9-11,14H,3-8,22H2,1-2H3
InChIKeyWBYIZPKKPNYBEK-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.51
Rot. Bonds3

About 1-[5-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120850850) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[5-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120850850
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-[5-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESCc1cc(C)c2nc(C3CC3)cc(-c3nc(C4(N)CCCC4)no3)c2c1
InChIInChI=1S/C21H24N4O/c1-12-9-13(2)18-15(10-12)16(11-17(23-18)14-5-6-14)19-24-20(25-26-19)21(22)7-3-4-8-21/h9-11,14H,3-8,22H2,1-2H3
InChIKeyWBYIZPKKPNYBEK-UHFFFAOYSA-N
XLogP4.51
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine with MolForge

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Related Compounds

1-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863351
1-[5-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851406
5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-7-cyclopropyl-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 120851473
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855098
1-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853935
1-[5-(3,6-dimethylpyridazin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 104672150
2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-methyl-6-nitroaniline
CID 120855620
1-[5-(2-chloro-4-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850939
1-[5-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859443
1-[5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853706
1-[5-(7-fluoro-2,3-dimethylquinoxalin-5-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852901
1-[5-(5-methyl-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 65462850

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120850850) is 1-[5-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is Cc1cc(C)c2nc(C3CC3)cc(-c3nc(C4(N)CCCC4)no3)c2c1.
What is the InChIKey of 1-[5-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is WBYIZPKKPNYBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-12-9-13(2)18-15(10-12)16(11-17(23-18)14-5-6-14)19-24-20(25-26-19)21(22)7-3-4-8-21/h9-11,14H,3-8,22H2,1-2H3.
What are the key properties of 1-[5-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 348.45 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120850850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).