2,7,8-trimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one

C19H26N2O — CID 709619

IUPAC2,7,8-trimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1ccc2c(=O)c(CN3CCC[C@@H](C)C3)c(C)[nH]c2c1C
InChIInChI=1S/C19H26N2O/c1-12-6-5-9-21(10-12)11-17-15(4)20-18-14(3)13(2)7-8-16(18)19(17)22/h7-8,12H,5-6,9-11H2,1-4H3,(H,20,22)/t12-/m1/s1
InChIKeyWBUZSRRTVMOMEV-GFCCVEGCSA-N
MW298.43 g/mol
LogP3.69
Rot. Bonds2

About 2,7,8-trimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one

2,7,8-trimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one (PubChem CID 709619) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 2,7,8-trimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2,7,8-trimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one
PubChem CID709619
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name2,7,8-trimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1ccc2c(=O)c(CN3CCC[C@@H](C)C3)c(C)[nH]c2c1C
InChIInChI=1S/C19H26N2O/c1-12-6-5-9-21(10-12)11-17-15(4)20-18-14(3)13(2)7-8-16(18)19(17)22/h7-8,12H,5-6,9-11H2,1-4H3,(H,20,22)/t12-/m1/s1
InChIKeyWBUZSRRTVMOMEV-GFCCVEGCSA-N
XLogP3.69
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,7,8-trimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one with MolForge

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Related Compounds

2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one
CID 730803
6-(dimethylamino)-2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-1H-quinolin-4-one
CID 4550810
2-methyl-3-[(3-methylpiperidin-1-yl)methyl]-6-phenoxy-1H-quinolin-4-one
CID 4122303
cyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 3300019
2-methyl-3-(pyrrolidin-1-ylmethyl)-1H-benzo[h]quinolin-4-one
CID 728890
3-(methoxymethyl)-2,7,8-trimethyl-1H-quinolin-4-one
CID 139705258
2,7,8-trimethyl-3-[[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-1H-quinolin-4-one
CID 7067240
7-chloro-2,8-dimethyl-3-[(3-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-4-one
CID 3368624
7-hydroxy-2-methyl-8-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-phenylchromen-4-one
CID 7529905
6-hydroxy-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 1367404
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
N-[4,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophen-2-yl]acetamide
CID 9120728

Frequently Asked Questions

What is the IUPAC name of 2,7,8-trimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 2,7,8-trimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one (CID 709619) is 2,7,8-trimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 2,7,8-trimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 2,7,8-trimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one is Cc1ccc2c(=O)c(CN3CCC[C@@H](C)C3)c(C)[nH]c2c1C.
What is the InChIKey of 2,7,8-trimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one?
The InChIKey is WBUZSRRTVMOMEV-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H26N2O/c1-12-6-5-9-21(10-12)11-17-15(4)20-18-14(3)13(2)7-8-16(18)19(17)22/h7-8,12H,5-6,9-11H2,1-4H3,(H,20,22)/t12-/m1/s1.
What are the key properties of 2,7,8-trimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one?
2,7,8-trimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one has a molecular weight of 298.43 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,8-trimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 709619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).