6-ethyl-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one

C18H24N2O — CID 702770

IUPAC6-ethyl-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
SMILESCCc1ccc2[nH]c(C)c(CN3CCCCC3)c(=O)c2c1
InChIInChI=1S/C18H24N2O/c1-3-14-7-8-17-15(11-14)18(21)16(13(2)19-17)12-20-9-5-4-6-10-20/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,19,21)
InChIKeyMLAFXHUQKPYEBO-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.38
Rot. Bonds3

About 6-ethyl-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one

6-ethyl-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one (PubChem CID 702770) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-ethyl-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-ethyl-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
PubChem CID702770
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name6-ethyl-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
SMILESCCc1ccc2[nH]c(C)c(CN3CCCCC3)c(=O)c2c1
InChIInChI=1S/C18H24N2O/c1-3-14-7-8-17-15(11-14)18(21)16(13(2)19-17)12-20-9-5-4-6-10-20/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,19,21)
InChIKeyMLAFXHUQKPYEBO-UHFFFAOYSA-N
XLogP3.38
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-ethyl-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one?
The IUPAC name of 6-ethyl-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one (CID 702770) is 6-ethyl-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-ethyl-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one?
The canonical SMILES for 6-ethyl-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one is CCc1ccc2[nH]c(C)c(CN3CCCCC3)c(=O)c2c1.
What is the InChIKey of 6-ethyl-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one?
The InChIKey is MLAFXHUQKPYEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-14-7-8-17-15(11-14)18(21)16(13(2)19-17)12-20-9-5-4-6-10-20/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,19,21).
What are the key properties of 6-ethyl-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one?
6-ethyl-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one has a molecular weight of 284.40 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one is sourced from PubChem (CID 702770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).