2,6,8-trimethyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide

C20H27N3O — CID 46291561

IUPAC2,6,8-trimethyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
SMILESCc1cc(C)c2nc(C)cc(C(=O)NCCN3CCCCC3)c2c1
InChIInChI=1S/C20H27N3O/c1-14-11-15(2)19-17(12-14)18(13-16(3)22-19)20(24)21-7-10-23-8-5-4-6-9-23/h11-13H,4-10H2,1-3H3,(H,21,24)
InChIKeyMIOTXUALLXXTJX-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.38
Rot. Bonds4

About 2,6,8-trimethyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide

2,6,8-trimethyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide (PubChem CID 46291561) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2,6,8-trimethyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2,6,8-trimethyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
PubChem CID46291561
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2,6,8-trimethyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
SMILESCc1cc(C)c2nc(C)cc(C(=O)NCCN3CCCCC3)c2c1
InChIInChI=1S/C20H27N3O/c1-14-11-15(2)19-17(12-14)18(13-16(3)22-19)20(24)21-7-10-23-8-5-4-6-9-23/h11-13H,4-10H2,1-3H3,(H,21,24)
InChIKeyMIOTXUALLXXTJX-UHFFFAOYSA-N
XLogP3.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 47000437
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42750288
piperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone
CID 46291566
2,6,8-trimethyl-N-(3-phenylpropyl)quinoline-4-carboxamide
CID 50765976
N,2,6,8-tetramethyl-N-[2-(2-oxopiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 70708375
2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749415
1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 125144865
N-[2-(azepan-1-yl)ethyl]-2-bromo-5-methylbenzamide
CID 80979640
6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659166
2-(furan-2-yl)-6-methyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 42749836
2,6-dimethyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide
CID 67965449

Frequently Asked Questions

What is the IUPAC name of 2,6,8-trimethyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 2,6,8-trimethyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide (CID 46291561) is 2,6,8-trimethyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2,6,8-trimethyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2,6,8-trimethyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide is Cc1cc(C)c2nc(C)cc(C(=O)NCCN3CCCCC3)c2c1.
What is the InChIKey of 2,6,8-trimethyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide?
The InChIKey is MIOTXUALLXXTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-14-11-15(2)19-17(12-14)18(13-16(3)22-19)20(24)21-7-10-23-8-5-4-6-9-23/h11-13H,4-10H2,1-3H3,(H,21,24).
What are the key properties of 2,6,8-trimethyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide?
2,6,8-trimethyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8-trimethyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 46291561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).