1-[5-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C18H24N4O — CID 120860824

IUPAC1-[5-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCC1CCc2ccccc2N1CCc1nc(C2(N)CCC2)no1
InChIInChI=1S/C18H24N4O/c1-13-7-8-14-5-2-3-6-15(14)22(13)12-9-16-20-17(21-23-16)18(19)10-4-11-18/h2-3,5-6,13H,4,7-12,19H2,1H3
InChIKeyXAJUQAVDMXEUDE-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.79
Rot. Bonds4

About 1-[5-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120860824) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[5-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120860824
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-[5-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCC1CCc2ccccc2N1CCc1nc(C2(N)CCC2)no1
InChIInChI=1S/C18H24N4O/c1-13-7-8-14-5-2-3-6-15(14)22(13)12-9-16-20-17(21-23-16)18(19)10-4-11-18/h2-3,5-6,13H,4,7-12,19H2,1H3
InChIKeyXAJUQAVDMXEUDE-UHFFFAOYSA-N
XLogP2.79
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120860824) is 1-[5-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is CC1CCc2ccccc2N1CCc1nc(C2(N)CCC2)no1.
What is the InChIKey of 1-[5-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is XAJUQAVDMXEUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-7-8-14-5-2-3-6-15(14)22(13)12-9-16-20-17(21-23-16)18(19)10-4-11-18/h2-3,5-6,13H,4,7-12,19H2,1H3.
What are the key properties of 1-[5-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 312.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120860824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).