2,6,8-trimethyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one

C19H27N2O+ — CID 3303637

IUPAC2,6,8-trimethyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one
SMILESCc1cc(C)c2[nH]c(C)c(C[NH+]3CCC(C)CC3)c(=O)c2c1
InChIInChI=1S/C19H26N2O/c1-12-5-7-21(8-6-12)11-17-15(4)20-18-14(3)9-13(2)10-16(18)19(17)22/h9-10,12H,5-8,11H2,1-4H3,(H,20,22)/p+1
InChIKeyGBKJIISOXXPBHS-UHFFFAOYSA-O
MW299.44 g/mol
LogP2.27
Rot. Bonds2

About 2,6,8-trimethyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one

2,6,8-trimethyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one (PubChem CID 3303637) has the molecular formula C19H27N2O+ and a molecular weight of 299.44 g/mol. Its IUPAC name is 2,6,8-trimethyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2,6,8-trimethyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one
PubChem CID3303637
Molecular FormulaC19H27N2O+
Molecular Weight299.44 g/mol
Exact Mass299.21
IUPAC Name2,6,8-trimethyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one
SMILESCc1cc(C)c2[nH]c(C)c(C[NH+]3CCC(C)CC3)c(=O)c2c1
InChIInChI=1S/C19H26N2O/c1-12-5-7-21(8-6-12)11-17-15(4)20-18-14(3)9-13(2)10-16(18)19(17)22/h9-10,12H,5-8,11H2,1-4H3,(H,20,22)/p+1
InChIKeyGBKJIISOXXPBHS-UHFFFAOYSA-O
XLogP2.27
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6,8-trimethyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one?
The IUPAC name of 2,6,8-trimethyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one (CID 3303637) is 2,6,8-trimethyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one.
What is the SMILES notation for 2,6,8-trimethyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one?
The canonical SMILES for 2,6,8-trimethyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one is Cc1cc(C)c2[nH]c(C)c(C[NH+]3CCC(C)CC3)c(=O)c2c1.
What is the InChIKey of 2,6,8-trimethyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one?
The InChIKey is GBKJIISOXXPBHS-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H26N2O/c1-12-5-7-21(8-6-12)11-17-15(4)20-18-14(3)9-13(2)10-16(18)19(17)22/h9-10,12H,5-8,11H2,1-4H3,(H,20,22)/p+1.
What are the key properties of 2,6,8-trimethyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one?
2,6,8-trimethyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one has a molecular weight of 299.44 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8-trimethyl-3-[(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one is sourced from PubChem (CID 3303637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).