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

C18H25N2O2+ — CID 3601199

IUPAC6-methoxy-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one
SMILESCOc1ccc2[nH]c(C)c(C[NH+]3CCC(C)CC3)c(=O)c2c1
InChIInChI=1S/C18H24N2O2/c1-12-6-8-20(9-7-12)11-16-13(2)19-17-5-4-14(22-3)10-15(17)18(16)21/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,21)/p+1
InChIKeyIXKMEAVFDWIZDA-UHFFFAOYSA-O
MW301.41 g/mol
LogP1.66
Rot. Bonds3

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

6-methoxy-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one (PubChem CID 3601199) has the molecular formula C18H25N2O2+ and a molecular weight of 301.41 g/mol. Its IUPAC name is 6-methoxy-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methoxy-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one
PubChem CID3601199
Molecular FormulaC18H25N2O2+
Molecular Weight301.41 g/mol
Exact Mass301.19
IUPAC Name6-methoxy-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one
SMILESCOc1ccc2[nH]c(C)c(C[NH+]3CCC(C)CC3)c(=O)c2c1
InChIInChI=1S/C18H24N2O2/c1-12-6-8-20(9-7-12)11-16-13(2)19-17-5-4-14(22-3)10-15(17)18(16)21/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,21)/p+1
InChIKeyIXKMEAVFDWIZDA-UHFFFAOYSA-O
XLogP1.66
TPSA46.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-methoxy-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one with MolForge

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Related Compounds

6-ethoxy-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one
CID 3252292
6-methoxy-2-methyl-3-(morpholin-4-ium-4-ylmethyl)-1H-quinolin-4-one
CID 4532113
methyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
CID 4605637
propyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
CID 4220962
6-ethoxy-2-methyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one
CID 3252291
6-ethoxy-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
CID 6973135
6-methoxy-2-methyl-3-[[(1R,5S)-1,3,3-trimethyl-6-azoniabicyclo[3.2.1]octan-6-yl]methyl]-1H-quinolin-4-one
CID 11861141
2,6,8-trimethyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one
CID 3303637
6-fluoro-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
CID 7212509
3-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-2-methyl-6-(2-methylpropoxy)-1H-quinolin-4-one
CID 3320887
3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one
CID 608539
6-methoxy-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-2-phenyl-1H-quinolin-4-one
CID 4054264

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one?
The IUPAC name of 6-methoxy-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one (CID 3601199) is 6-methoxy-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-methoxy-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-methoxy-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one is COc1ccc2[nH]c(C)c(C[NH+]3CCC(C)CC3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one?
The InChIKey is IXKMEAVFDWIZDA-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H24N2O2/c1-12-6-8-20(9-7-12)11-16-13(2)19-17-5-4-14(22-3)10-15(17)18(16)21/h4-5,10,12H,6-9,11H2,1-3H3,(H,19,21)/p+1.
What are the key properties of 6-methoxy-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one?
6-methoxy-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one has a molecular weight of 301.41 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one is sourced from PubChem (CID 3601199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).