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

C25H33N5O2 — CID 118263840

IUPACN-(2,6-dimethyloxan-4-yl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
SMILESCc1ccc2nc(N3CCC(NC4CC(C)OC(C)C4)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C25H33N5O2/c1-15-5-6-23-19(11-15)14-22(25-26-18(4)29-32-25)24(28-23)30-9-7-20(8-10-30)27-21-12-16(2)31-17(3)13-21/h5-6,11,14,16-17,20-21,27H,7-10,12-13H2,1-4H3
InChIKeyQWCODRPFPSGHNX-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.42
Rot. Bonds4

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

N-(2,6-dimethyloxan-4-yl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine (PubChem CID 118263840) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-(2,6-dimethyloxan-4-yl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-(2,6-dimethyloxan-4-yl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
PubChem CID118263840
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC NameN-(2,6-dimethyloxan-4-yl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
SMILESCc1ccc2nc(N3CCC(NC4CC(C)OC(C)C4)CC3)c(-c3nc(C)no3)cc2c1
InChIInChI=1S/C25H33N5O2/c1-15-5-6-23-19(11-15)14-22(25-26-18(4)29-32-25)24(28-23)30-9-7-20(8-10-30)27-21-12-16(2)31-17(3)13-21/h5-6,11,14,16-17,20-21,27H,7-10,12-13H2,1-4H3
InChIKeyQWCODRPFPSGHNX-UHFFFAOYSA-N
XLogP4.42
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyloxan-4-yl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
The IUPAC name of N-(2,6-dimethyloxan-4-yl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine (CID 118263840) is N-(2,6-dimethyloxan-4-yl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine.
What is the SMILES notation for N-(2,6-dimethyloxan-4-yl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
The canonical SMILES for N-(2,6-dimethyloxan-4-yl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine is Cc1ccc2nc(N3CCC(NC4CC(C)OC(C)C4)CC3)c(-c3nc(C)no3)cc2c1.
What is the InChIKey of N-(2,6-dimethyloxan-4-yl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
The InChIKey is QWCODRPFPSGHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-15-5-6-23-19(11-15)14-22(25-26-18(4)29-32-25)24(28-23)30-9-7-20(8-10-30)27-21-12-16(2)31-17(3)13-21/h5-6,11,14,16-17,20-21,27H,7-10,12-13H2,1-4H3.
What are the key properties of N-(2,6-dimethyloxan-4-yl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine?
N-(2,6-dimethyloxan-4-yl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine has a molecular weight of 435.57 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyloxan-4-yl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine is sourced from PubChem (CID 118263840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).