2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one

C18H24N2O — CID 730803

IUPAC2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(C)c(CN3CCC[C@H](C)C3)c(=O)c2c1
InChIInChI=1S/C18H24N2O/c1-12-6-7-17-15(9-12)18(21)16(14(3)19-17)11-20-8-4-5-13(2)10-20/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyZPVMQCJVXWHUDI-ZDUSSCGKSA-N
MW284.40 g/mol
LogP3.38
Rot. Bonds2

About 2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one

2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one (PubChem CID 730803) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one
PubChem CID730803
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(C)c(CN3CCC[C@H](C)C3)c(=O)c2c1
InChIInChI=1S/C18H24N2O/c1-12-6-7-17-15(9-12)18(21)16(14(3)19-17)11-20-8-4-5-13(2)10-20/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyZPVMQCJVXWHUDI-ZDUSSCGKSA-N
XLogP3.38
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one with MolForge

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Related Compounds

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
2,7,8-trimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one
CID 709619
6-ethyl-2-methyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
CID 702770
methyl 2-methyl-3-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-6-carboxylate
CID 730962
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
6-chloro-3-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-1H-quinolin-4-one
CID 696344
6-bromo-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-quinolin-4-one
CID 1189503
2-methyl-6-(2-methylpropoxy)-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
CID 2240733
6-chloro-2-methyl-3-(morpholin-4-ylmethyl)-1H-quinolin-4-one
CID 730781
2,6-dimethyl-3-[[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-1H-quinolin-4-one
CID 730804
3-(azepan-1-ylmethyl)-4-hydroxy-6-methyl-1H-quinolin-2-one
CID 54676438

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one (CID 730803) is 2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one is Cc1ccc2[nH]c(C)c(CN3CCC[C@H](C)C3)c(=O)c2c1.
What is the InChIKey of 2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one?
The InChIKey is ZPVMQCJVXWHUDI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-6-7-17-15(9-12)18(21)16(14(3)19-17)11-20-8-4-5-13(2)10-20/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one?
2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one has a molecular weight of 284.40 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 730803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).