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

C20H28N2O2 — CID 2240733

IUPAC2-methyl-6-(2-methylpropoxy)-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1CN1CCCCC1
InChIInChI=1S/C20H28N2O2/c1-14(2)13-24-16-7-8-19-17(11-16)20(23)18(15(3)21-19)12-22-9-5-4-6-10-22/h7-8,11,14H,4-6,9-10,12-13H2,1-3H3,(H,21,23)
InChIKeyDCDRNWNBEAZLNL-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.86
Rot. Bonds5

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

2-methyl-6-(2-methylpropoxy)-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one (PubChem CID 2240733) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-methyl-6-(2-methylpropoxy)-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-6-(2-methylpropoxy)-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
PubChem CID2240733
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-methyl-6-(2-methylpropoxy)-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1CN1CCCCC1
InChIInChI=1S/C20H28N2O2/c1-14(2)13-24-16-7-8-19-17(11-16)20(23)18(15(3)21-19)12-22-9-5-4-6-10-22/h7-8,11,14H,4-6,9-10,12-13H2,1-3H3,(H,21,23)
InChIKeyDCDRNWNBEAZLNL-UHFFFAOYSA-N
XLogP3.86
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-2-methyl-6-(2-methylpropoxy)-1H-quinolin-4-one
CID 2240744
6-ethyl-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
CID 702770
3-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-2-methyl-6-(2-methylpropoxy)-1H-quinolin-4-one
CID 3320887
3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-6-(2-methylpropoxy)-1H-quinolin-4-one
CID 7231825
6-ethoxy-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-2-methyl-1H-quinolin-4-one
CID 1187160
2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-6-phenoxy-1H-quinolin-4-one
CID 4122303
6-chloro-3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1H-quinolin-4-one
CID 696344
6-bromo-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-quinolin-4-one
CID 1189503
6-chloro-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one
CID 730781
2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one
CID 730803
2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylic acid
CID 7137955
2,7,8-trimethyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
CID 709555

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylpropoxy)-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one?
The IUPAC name of 2-methyl-6-(2-methylpropoxy)-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one (CID 2240733) is 2-methyl-6-(2-methylpropoxy)-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one.
What is the SMILES notation for 2-methyl-6-(2-methylpropoxy)-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one?
The canonical SMILES for 2-methyl-6-(2-methylpropoxy)-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one is Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1CN1CCCCC1.
What is the InChIKey of 2-methyl-6-(2-methylpropoxy)-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one?
The InChIKey is DCDRNWNBEAZLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14(2)13-24-16-7-8-19-17(11-16)20(23)18(15(3)21-19)12-22-9-5-4-6-10-22/h7-8,11,14H,4-6,9-10,12-13H2,1-3H3,(H,21,23).
What are the key properties of 2-methyl-6-(2-methylpropoxy)-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one?
2-methyl-6-(2-methylpropoxy)-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one has a molecular weight of 328.46 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylpropoxy)-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one is sourced from PubChem (CID 2240733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).