6-ethoxy-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-2-methyl-1H-quinolin-4-one

C20H28N2O2 — CID 1187160

IUPAC6-ethoxy-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-2-methyl-1H-quinolin-4-one
SMILESCCOc1ccc2[nH]c(C)c(CN3CCCC[C@@H]3CC)c(=O)c2c1
InChIInChI=1S/C20H28N2O2/c1-4-15-8-6-7-11-22(15)13-18-14(3)21-19-10-9-16(24-5-2)12-17(19)20(18)23/h9-10,12,15H,4-8,11,13H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyXUEDCICPHLYDKR-HNNXBMFYSA-N
MW328.46 g/mol
LogP4.00
Rot. Bonds5

About 6-ethoxy-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-2-methyl-1H-quinolin-4-one

6-ethoxy-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-2-methyl-1H-quinolin-4-one (PubChem CID 1187160) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 6-ethoxy-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-ethoxy-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-2-methyl-1H-quinolin-4-one
PubChem CID1187160
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name6-ethoxy-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-2-methyl-1H-quinolin-4-one
SMILESCCOc1ccc2[nH]c(C)c(CN3CCCC[C@@H]3CC)c(=O)c2c1
InChIInChI=1S/C20H28N2O2/c1-4-15-8-6-7-11-22(15)13-18-14(3)21-19-10-9-16(24-5-2)12-17(19)20(18)23/h9-10,12,15H,4-8,11,13H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyXUEDCICPHLYDKR-HNNXBMFYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-2-methyl-1H-quinolin-4-one?
The IUPAC name of 6-ethoxy-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-2-methyl-1H-quinolin-4-one (CID 1187160) is 6-ethoxy-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 6-ethoxy-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 6-ethoxy-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-2-methyl-1H-quinolin-4-one is CCOc1ccc2[nH]c(C)c(CN3CCCC[C@@H]3CC)c(=O)c2c1.
What is the InChIKey of 6-ethoxy-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-2-methyl-1H-quinolin-4-one?
The InChIKey is XUEDCICPHLYDKR-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-4-15-8-6-7-11-22(15)13-18-14(3)21-19-10-9-16(24-5-2)12-17(19)20(18)23/h9-10,12,15H,4-8,11,13H2,1-3H3,(H,21,23)/t15-/m0/s1.
What are the key properties of 6-ethoxy-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-2-methyl-1H-quinolin-4-one?
6-ethoxy-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-2-methyl-1H-quinolin-4-one has a molecular weight of 328.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 1187160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).