N-cyclohexyl-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine

C26H35N5O2 — CID 118263837

IUPACN-cyclohexyl-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine
SMILESCCc1ccc2nc(N3CCC(NC4CCCCC4)C(OC)C3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C26H35N5O2/c1-4-18-10-11-22-19(14-18)15-21(26-27-17(2)30-33-26)25(29-22)31-13-12-23(24(16-31)32-3)28-20-8-6-5-7-9-20/h10-11,14-15,20,23-24,28H,4-9,12-13,16H2,1-3H3
InChIKeyLYESPAOKPAXPCR-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.67
Rot. Bonds6

About N-cyclohexyl-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine

N-cyclohexyl-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine (PubChem CID 118263837) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-cyclohexyl-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine
PubChem CID118263837
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC NameN-cyclohexyl-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine
SMILESCCc1ccc2nc(N3CCC(NC4CCCCC4)C(OC)C3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C26H35N5O2/c1-4-18-10-11-22-19(14-18)15-21(26-27-17(2)30-33-26)25(29-22)31-13-12-23(24(16-31)32-3)28-20-8-6-5-7-9-20/h10-11,14-15,20,23-24,28H,4-9,12-13,16H2,1-3H3
InChIKeyLYESPAOKPAXPCR-UHFFFAOYSA-N
XLogP4.67
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine?
The IUPAC name of N-cyclohexyl-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine (CID 118263837) is N-cyclohexyl-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine.
What is the SMILES notation for N-cyclohexyl-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine?
The canonical SMILES for N-cyclohexyl-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine is CCc1ccc2nc(N3CCC(NC4CCCCC4)C(OC)C3)c(-c3nc(C)no3)cc2c1.
What is the InChIKey of N-cyclohexyl-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine?
The InChIKey is LYESPAOKPAXPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-4-18-10-11-22-19(14-18)15-21(26-27-17(2)30-33-26)25(29-22)31-13-12-23(24(16-31)32-3)28-20-8-6-5-7-9-20/h10-11,14-15,20,23-24,28H,4-9,12-13,16H2,1-3H3.
What are the key properties of N-cyclohexyl-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine?
N-cyclohexyl-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine has a molecular weight of 449.60 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methoxypiperidin-4-amine is sourced from PubChem (CID 118263837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).