methyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate

C19H25N2O3+ — CID 4605637

IUPACmethyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(C)c(C[NH+]3CCC(C)CC3)c(=O)c2c1
InChIInChI=1S/C19H24N2O3/c1-12-6-8-21(9-7-12)11-16-13(2)20-17-5-4-14(19(23)24-3)10-15(17)18(16)22/h4-5,10,12H,6-9,11H2,1-3H3,(H,20,22)/p+1
InChIKeyQJYKFVXMYOIKAL-UHFFFAOYSA-O
MW329.42 g/mol
LogP1.44
Rot. Bonds3

About methyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate

methyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate (PubChem CID 4605637) has the molecular formula C19H25N2O3+ and a molecular weight of 329.42 g/mol. Its IUPAC name is methyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
PubChem CID4605637
Molecular FormulaC19H25N2O3+
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Namemethyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(C)c(C[NH+]3CCC(C)CC3)c(=O)c2c1
InChIInChI=1S/C19H24N2O3/c1-12-6-8-21(9-7-12)11-16-13(2)20-17-5-4-14(19(23)24-3)10-15(17)18(16)22/h4-5,10,12H,6-9,11H2,1-3H3,(H,20,22)/p+1
InChIKeyQJYKFVXMYOIKAL-UHFFFAOYSA-O
XLogP1.44
TPSA63.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate with MolForge

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Related Compounds

propyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
CID 4220962
6-methoxy-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one
CID 3601199
methyl 2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
CID 730962
ethyl 2-methyl-4-oxo-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinoline-6-carboxylate
CID 4614042
6-ethoxy-2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one
CID 3252292
methyl 3-(diethylaminomethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 730971
dibutyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 6995828
methyl 2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
CID 730968
butyl-ethyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 5014178
ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 927791
6-(dimethylamino)-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
CID 7212957
methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 11344717

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate?
The IUPAC name of methyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate (CID 4605637) is methyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate.
What is the SMILES notation for methyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate?
The canonical SMILES for methyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate is COC(=O)c1ccc2[nH]c(C)c(C[NH+]3CCC(C)CC3)c(=O)c2c1.
What is the InChIKey of methyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate?
The InChIKey is QJYKFVXMYOIKAL-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2O3/c1-12-6-8-21(9-7-12)11-16-13(2)20-17-5-4-14(19(23)24-3)10-15(17)18(16)22/h4-5,10,12H,6-9,11H2,1-3H3,(H,20,22)/p+1.
What are the key properties of methyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate?
methyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate has a molecular weight of 329.42 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate is sourced from PubChem (CID 4605637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).