3-methoxy-N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine

C26H35N5O2 — CID 129253353

IUPAC3-methoxy-N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
SMILESCOC1CN(c2nc3ccc(C)cc3cc2-c2nc(C)no2)CCC1NC1CCCCC1C
InChIInChI=1S/C26H35N5O2/c1-16-9-10-22-19(13-16)14-20(26-27-18(3)30-33-26)25(29-22)31-12-11-23(24(15-31)32-4)28-21-8-6-5-7-17(21)2/h9-10,13-14,17,21,23-24,28H,5-8,11-12,15H2,1-4H3
InChIKeyUJCDQFQJOUINPK-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.66
Rot. Bonds5

About 3-methoxy-N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine

3-methoxy-N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine (PubChem CID 129253353) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 3-methoxy-N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name3-methoxy-N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
PubChem CID129253353
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name3-methoxy-N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
SMILESCOC1CN(c2nc3ccc(C)cc3cc2-c2nc(C)no2)CCC1NC1CCCCC1C
InChIInChI=1S/C26H35N5O2/c1-16-9-10-22-19(13-16)14-20(26-27-18(3)30-33-26)25(29-22)31-12-11-23(24(15-31)32-4)28-21-8-6-5-7-17(21)2/h9-10,13-14,17,21,23-24,28H,5-8,11-12,15H2,1-4H3
InChIKeyUJCDQFQJOUINPK-UHFFFAOYSA-N
XLogP4.66
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
The IUPAC name of 3-methoxy-N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine (CID 129253353) is 3-methoxy-N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine.
What is the SMILES notation for 3-methoxy-N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
The canonical SMILES for 3-methoxy-N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine is COC1CN(c2nc3ccc(C)cc3cc2-c2nc(C)no2)CCC1NC1CCCCC1C.
What is the InChIKey of 3-methoxy-N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
The InChIKey is UJCDQFQJOUINPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-16-9-10-22-19(13-16)14-20(26-27-18(3)30-33-26)25(29-22)31-12-11-23(24(15-31)32-4)28-21-8-6-5-7-17(21)2/h9-10,13-14,17,21,23-24,28H,5-8,11-12,15H2,1-4H3.
What are the key properties of 3-methoxy-N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
3-methoxy-N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine has a molecular weight of 449.60 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine is sourced from PubChem (CID 129253353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).