3-[(2-ethylpiperidin-1-yl)methyl]-2,5,8-trimethyl-1H-quinolin-4-one

C20H28N2O — CID 2793694

IUPAC3-[(2-ethylpiperidin-1-yl)methyl]-2,5,8-trimethyl-1H-quinolin-4-one
SMILESCCC1CCCCN1Cc1c(C)[nH]c2c(C)ccc(C)c2c1=O
InChIInChI=1S/C20H28N2O/c1-5-16-8-6-7-11-22(16)12-17-15(4)21-19-14(3)10-9-13(2)18(19)20(17)23/h9-10,16H,5-8,11-12H2,1-4H3,(H,21,23)
InChIKeyLJRLMQBCPRUXGI-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.22
Rot. Bonds3

About 3-[(2-ethylpiperidin-1-yl)methyl]-2,5,8-trimethyl-1H-quinolin-4-one

3-[(2-ethylpiperidin-1-yl)methyl]-2,5,8-trimethyl-1H-quinolin-4-one (PubChem CID 2793694) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 3-[(2-ethylpiperidin-1-yl)methyl]-2,5,8-trimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[(2-ethylpiperidin-1-yl)methyl]-2,5,8-trimethyl-1H-quinolin-4-one
PubChem CID2793694
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name3-[(2-ethylpiperidin-1-yl)methyl]-2,5,8-trimethyl-1H-quinolin-4-one
SMILESCCC1CCCCN1Cc1c(C)[nH]c2c(C)ccc(C)c2c1=O
InChIInChI=1S/C20H28N2O/c1-5-16-8-6-7-11-22(16)12-17-15(4)21-19-14(3)10-9-13(2)18(19)20(17)23/h9-10,16H,5-8,11-12H2,1-4H3,(H,21,23)
InChIKeyLJRLMQBCPRUXGI-UHFFFAOYSA-N
XLogP4.22
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethoxy-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-2-methyl-1H-quinolin-4-one
CID 1187160
3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-2-methyl-6-(2-methylpropoxy)-1H-quinolin-4-one
CID 2240744
2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-4-one
CID 72857594
(2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine
CID 870763
N-cyclopentyl-4-[(2-ethylpiperidin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
CID 18593788
[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methanol
CID 83794056
6-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-hydroxy-7-methyl-4-phenylchromen-2-one
CID 5429176
2,7,8-trimethyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
CID 709555
4-[[(2S)-2-ethylpiperidin-1-yl]methyl]-3-hydroxy-1-methylbenzo[c]chromen-6-one
CID 6958413
5-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one
CID 53191673
3-[(2-ethylpiperidin-1-yl)methyl]-1-benzothiophene-2-carboxylic acid
CID 43266639
(2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine
CID 95356235

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylpiperidin-1-yl)methyl]-2,5,8-trimethyl-1H-quinolin-4-one?
The IUPAC name of 3-[(2-ethylpiperidin-1-yl)methyl]-2,5,8-trimethyl-1H-quinolin-4-one (CID 2793694) is 3-[(2-ethylpiperidin-1-yl)methyl]-2,5,8-trimethyl-1H-quinolin-4-one.
What is the SMILES notation for 3-[(2-ethylpiperidin-1-yl)methyl]-2,5,8-trimethyl-1H-quinolin-4-one?
The canonical SMILES for 3-[(2-ethylpiperidin-1-yl)methyl]-2,5,8-trimethyl-1H-quinolin-4-one is CCC1CCCCN1Cc1c(C)[nH]c2c(C)ccc(C)c2c1=O.
What is the InChIKey of 3-[(2-ethylpiperidin-1-yl)methyl]-2,5,8-trimethyl-1H-quinolin-4-one?
The InChIKey is LJRLMQBCPRUXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-5-16-8-6-7-11-22(16)12-17-15(4)21-19-14(3)10-9-13(2)18(19)20(17)23/h9-10,16H,5-8,11-12H2,1-4H3,(H,21,23).
What are the key properties of 3-[(2-ethylpiperidin-1-yl)methyl]-2,5,8-trimethyl-1H-quinolin-4-one?
3-[(2-ethylpiperidin-1-yl)methyl]-2,5,8-trimethyl-1H-quinolin-4-one has a molecular weight of 312.46 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylpiperidin-1-yl)methyl]-2,5,8-trimethyl-1H-quinolin-4-one is sourced from PubChem (CID 2793694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).