6-ethoxy-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one

C19H27N2O2+ — CID 6973135

IUPAC6-ethoxy-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
SMILESCCOc1ccc2[nH]c(C)c(C[NH+]3CCC[C@@H](C)C3)c(=O)c2c1
InChIInChI=1S/C19H26N2O2/c1-4-23-15-7-8-18-16(10-15)19(22)17(14(3)20-18)12-21-9-5-6-13(2)11-21/h7-8,10,13H,4-6,9,11-12H2,1-3H3,(H,20,22)/p+1/t13-/m1/s1
InChIKeyUQPLCFSKTZPBLJ-CYBMUJFWSA-O
MW315.44 g/mol
LogP2.05
Rot. Bonds4

About 6-ethoxy-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one

6-ethoxy-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one (PubChem CID 6973135) has the molecular formula C19H27N2O2+ and a molecular weight of 315.44 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-ethoxy-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
PubChem CID6973135
Molecular FormulaC19H27N2O2+
Molecular Weight315.44 g/mol
Exact Mass315.21
IUPAC Name6-ethoxy-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
SMILESCCOc1ccc2[nH]c(C)c(C[NH+]3CCC[C@@H](C)C3)c(=O)c2c1
InChIInChI=1S/C19H26N2O2/c1-4-23-15-7-8-18-16(10-15)19(22)17(14(3)20-18)12-21-9-5-6-13(2)11-21/h7-8,10,13H,4-6,9,11-12H2,1-3H3,(H,20,22)/p+1/t13-/m1/s1
InChIKeyUQPLCFSKTZPBLJ-CYBMUJFWSA-O
XLogP2.05
TPSA46.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 6-ethoxy-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one (CID 6973135) is 6-ethoxy-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-ethoxy-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-ethoxy-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one is CCOc1ccc2[nH]c(C)c(C[NH+]3CCC[C@@H](C)C3)c(=O)c2c1.
What is the InChIKey of 6-ethoxy-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one?
The InChIKey is UQPLCFSKTZPBLJ-CYBMUJFWSA-O. The full InChI is InChI=1S/C19H26N2O2/c1-4-23-15-7-8-18-16(10-15)19(22)17(14(3)20-18)12-21-9-5-6-13(2)11-21/h7-8,10,13H,4-6,9,11-12H2,1-3H3,(H,20,22)/p+1/t13-/m1/s1.
What are the key properties of 6-ethoxy-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one?
6-ethoxy-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one has a molecular weight of 315.44 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 6973135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).