3-[[cyclohexyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one

C21H30N2O — CID 23960236

IUPAC3-[[cyclohexyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one
SMILESCCN(Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O)C1CCCCC1
InChIInChI=1S/C21H30N2O/c1-5-23(17-9-7-6-8-10-17)13-19-16(4)22-20-15(3)14(2)11-12-18(20)21(19)24/h11-12,17H,5-10,13H2,1-4H3,(H,22,24)
InChIKeyYAALWYSDZDDTLE-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.61
Rot. Bonds4

About 3-[[cyclohexyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one

3-[[cyclohexyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one (PubChem CID 23960236) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 3-[[cyclohexyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[[cyclohexyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one
PubChem CID23960236
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name3-[[cyclohexyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one
SMILESCCN(Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O)C1CCCCC1
InChIInChI=1S/C21H30N2O/c1-5-23(17-9-7-6-8-10-17)13-19-16(4)22-20-15(3)14(2)11-12-18(20)21(19)24/h11-12,17H,5-10,13H2,1-4H3,(H,22,24)
InChIKeyYAALWYSDZDDTLE-UHFFFAOYSA-N
XLogP4.61
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[cyclohexyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one
CID 728820
cyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 3300019
2,7,8-trimethyl-3-(piperidin-1-ylmethyl)-1H-quinolin-4-one
CID 709555
3-(methoxymethyl)-2,7,8-trimethyl-1H-quinolin-4-one
CID 139705258
2,7,8-trimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-1H-quinolin-4-one
CID 709619
N-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine
CID 96679083
N-cyclohexyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 855783
2-cyclopropyl-6,7-dimethyl-1H-indole-3-carbaldehyde
CID 123834860
2,6,7-trimethyl-3-(piperidin-3-ylmethyl)-1H-indole
CID 84636243
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
N-cyclohexyl-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1168686
4-[[cyclohexyl(ethyl)amino]methyl]-2,6-dimethylphenol
CID 78907248

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclohexyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one?
The IUPAC name of 3-[[cyclohexyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one (CID 23960236) is 3-[[cyclohexyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one.
What is the SMILES notation for 3-[[cyclohexyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one?
The canonical SMILES for 3-[[cyclohexyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one is CCN(Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O)C1CCCCC1.
What is the InChIKey of 3-[[cyclohexyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one?
The InChIKey is YAALWYSDZDDTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-5-23(17-9-7-6-8-10-17)13-19-16(4)22-20-15(3)14(2)11-12-18(20)21(19)24/h11-12,17H,5-10,13H2,1-4H3,(H,22,24).
What are the key properties of 3-[[cyclohexyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one?
3-[[cyclohexyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one has a molecular weight of 326.48 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclohexyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one is sourced from PubChem (CID 23960236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).