N-ethyl-N-methyl-6-(1-piperidin-1-ylethyl)quinoline-8-carboxamide

C20H27N3O — CID 141363549

IUPACN-ethyl-N-methyl-6-(1-piperidin-1-ylethyl)quinoline-8-carboxamide
SMILESCCN(C)C(=O)c1cc(C(C)N2CCCCC2)cc2cccnc12
InChIInChI=1S/C20H27N3O/c1-4-22(3)20(24)18-14-17(13-16-9-8-10-21-19(16)18)15(2)23-11-6-5-7-12-23/h8-10,13-15H,4-7,11-12H2,1-3H3
InChIKeyVUFWDOZUGGEJBF-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.87
Rot. Bonds4

About N-ethyl-N-methyl-6-(1-piperidin-1-ylethyl)quinoline-8-carboxamide

N-ethyl-N-methyl-6-(1-piperidin-1-ylethyl)quinoline-8-carboxamide (PubChem CID 141363549) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-ethyl-N-methyl-6-(1-piperidin-1-ylethyl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-6-(1-piperidin-1-ylethyl)quinoline-8-carboxamide
PubChem CID141363549
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-ethyl-N-methyl-6-(1-piperidin-1-ylethyl)quinoline-8-carboxamide
SMILESCCN(C)C(=O)c1cc(C(C)N2CCCCC2)cc2cccnc12
InChIInChI=1S/C20H27N3O/c1-4-22(3)20(24)18-14-17(13-16-9-8-10-21-19(16)18)15(2)23-11-6-5-7-12-23/h8-10,13-15H,4-7,11-12H2,1-3H3
InChIKeyVUFWDOZUGGEJBF-UHFFFAOYSA-N
XLogP3.87
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-6-(1-piperidin-1-ylethyl)quinoline-8-carboxamide?
The IUPAC name of N-ethyl-N-methyl-6-(1-piperidin-1-ylethyl)quinoline-8-carboxamide (CID 141363549) is N-ethyl-N-methyl-6-(1-piperidin-1-ylethyl)quinoline-8-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-6-(1-piperidin-1-ylethyl)quinoline-8-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-6-(1-piperidin-1-ylethyl)quinoline-8-carboxamide is CCN(C)C(=O)c1cc(C(C)N2CCCCC2)cc2cccnc12.
What is the InChIKey of N-ethyl-N-methyl-6-(1-piperidin-1-ylethyl)quinoline-8-carboxamide?
The InChIKey is VUFWDOZUGGEJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-4-22(3)20(24)18-14-17(13-16-9-8-10-21-19(16)18)15(2)23-11-6-5-7-12-23/h8-10,13-15H,4-7,11-12H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-6-(1-piperidin-1-ylethyl)quinoline-8-carboxamide?
N-ethyl-N-methyl-6-(1-piperidin-1-ylethyl)quinoline-8-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-6-(1-piperidin-1-ylethyl)quinoline-8-carboxamide is sourced from PubChem (CID 141363549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).