2-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-1H-quinolin-4-one

C18H22N2O3 — CID 126837271

IUPAC2-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-1H-quinolin-4-one
SMILESCc1[nH]c2ccccc2c(=O)c1OCC(=O)N1CCC(C)CC1
InChIInChI=1S/C18H22N2O3/c1-12-7-9-20(10-8-12)16(21)11-23-18-13(2)19-15-6-4-3-5-14(15)17(18)22/h3-6,12H,7-11H2,1-2H3,(H,19,22)
InChIKeyNQUVWVUASYXJQV-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.47
Rot. Bonds3

About 2-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-1H-quinolin-4-one

2-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-1H-quinolin-4-one (PubChem CID 126837271) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-1H-quinolin-4-one
PubChem CID126837271
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name2-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-1H-quinolin-4-one
SMILESCc1[nH]c2ccccc2c(=O)c1OCC(=O)N1CCC(C)CC1
InChIInChI=1S/C18H22N2O3/c1-12-7-9-20(10-8-12)16(21)11-23-18-13(2)19-15-6-4-3-5-14(15)17(18)22/h3-6,12H,7-11H2,1-2H3,(H,19,22)
InChIKeyNQUVWVUASYXJQV-UHFFFAOYSA-N
XLogP2.47
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dibromophenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 60594267
3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 51210911
2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389
2-(1-methylindazol-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone
CID 126420962
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate
CID 23831631
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 4648818
2-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 21173488
2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 797864
1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31858024
1-(azepan-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31849728
2-(4-methoxyphenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087303
ethyl 4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 52890363

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-1H-quinolin-4-one?
The IUPAC name of 2-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-1H-quinolin-4-one (CID 126837271) is 2-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-1H-quinolin-4-one.
What is the SMILES notation for 2-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-1H-quinolin-4-one?
The canonical SMILES for 2-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-1H-quinolin-4-one is Cc1[nH]c2ccccc2c(=O)c1OCC(=O)N1CCC(C)CC1.
What is the InChIKey of 2-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-1H-quinolin-4-one?
The InChIKey is NQUVWVUASYXJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-7-9-20(10-8-12)16(21)11-23-18-13(2)19-15-6-4-3-5-14(15)17(18)22/h3-6,12H,7-11H2,1-2H3,(H,19,22).
What are the key properties of 2-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-1H-quinolin-4-one?
2-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-1H-quinolin-4-one has a molecular weight of 314.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-1H-quinolin-4-one is sourced from PubChem (CID 126837271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).