2,7,8-trimethyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one

C18H24N2O — CID 709555

IUPAC2,7,8-trimethyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
SMILESCc1ccc2c(=O)c(CN3CCCCC3)c(C)[nH]c2c1C
InChIInChI=1S/C18H24N2O/c1-12-7-8-15-17(13(12)2)19-14(3)16(18(15)21)11-20-9-5-4-6-10-20/h7-8H,4-6,9-11H2,1-3H3,(H,19,21)
InChIKeyLYNPSTTZIHJMMN-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.44
Rot. Bonds2

About 2,7,8-trimethyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one

2,7,8-trimethyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one (PubChem CID 709555) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2,7,8-trimethyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2,7,8-trimethyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
PubChem CID709555
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2,7,8-trimethyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
SMILESCc1ccc2c(=O)c(CN3CCCCC3)c(C)[nH]c2c1C
InChIInChI=1S/C18H24N2O/c1-12-7-8-15-17(13(12)2)19-14(3)16(18(15)21)11-20-9-5-4-6-10-20/h7-8H,4-6,9-11H2,1-3H3,(H,19,21)
InChIKeyLYNPSTTZIHJMMN-UHFFFAOYSA-N
XLogP3.44
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,7,8-trimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one
CID 709619
2-methyl-3-(pyrrolidin-1-ylmethyl)-1H-benzo[h]quinolin-4-one
CID 728890
cyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 3300019
3-(methoxymethyl)-2,7,8-trimethyl-1H-quinolin-4-one
CID 139705258
6-ethyl-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
CID 702770
3-[[cyclohexyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one
CID 23960236
2,7,8-trimethyl-3-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-1H-quinolin-4-one
CID 7067240
2-methyl-6-(2-methylpropoxy)-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
CID 2240733
2,6,8-trimethyl-3-[(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-4-one
CID 2240799
2,6-dimethyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole-7-carboxylic acid
CID 83947396
3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-1H-benzo[h]quinolin-4-one
CID 728895
3-[(2-ethylpiperidin-1-yl)methyl]-2,5,8-trimethyl-1H-quinolin-4-one
CID 2793694

Frequently Asked Questions

What is the IUPAC name of 2,7,8-trimethyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one?
The IUPAC name of 2,7,8-trimethyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one (CID 709555) is 2,7,8-trimethyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one.
What is the SMILES notation for 2,7,8-trimethyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one?
The canonical SMILES for 2,7,8-trimethyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one is Cc1ccc2c(=O)c(CN3CCCCC3)c(C)[nH]c2c1C.
What is the InChIKey of 2,7,8-trimethyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one?
The InChIKey is LYNPSTTZIHJMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-7-8-15-17(13(12)2)19-14(3)16(18(15)21)11-20-9-5-4-6-10-20/h7-8H,4-6,9-11H2,1-3H3,(H,19,21).
What are the key properties of 2,7,8-trimethyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one?
2,7,8-trimethyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one has a molecular weight of 284.40 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,8-trimethyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one is sourced from PubChem (CID 709555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).