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

C19H26N2O — CID 728820

IUPAC3-[[cyclohexyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one
SMILESCCN(Cc1c(C)[nH]c2ccccc2c1=O)C1CCCCC1
InChIInChI=1S/C19H26N2O/c1-3-21(15-9-5-4-6-10-15)13-17-14(2)20-18-12-8-7-11-16(18)19(17)22/h7-8,11-12,15H,3-6,9-10,13H2,1-2H3,(H,20,22)
InChIKeyHHAXCRIFMNUZOW-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.99
Rot. Bonds4

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

3-[[cyclohexyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one (PubChem CID 728820) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-[[cyclohexyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[[cyclohexyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one
PubChem CID728820
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name3-[[cyclohexyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one
SMILESCCN(Cc1c(C)[nH]c2ccccc2c1=O)C1CCCCC1
InChIInChI=1S/C19H26N2O/c1-3-21(15-9-5-4-6-10-15)13-17-14(2)20-18-12-8-7-11-16(18)19(17)22/h7-8,11-12,15H,3-6,9-10,13H2,1-2H3,(H,20,22)
InChIKeyHHAXCRIFMNUZOW-UHFFFAOYSA-N
XLogP3.99
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[cyclohexyl(ethyl)amino]methyl]-2,7,8-trimethyl-1H-quinolin-4-one
CID 23960236
2-methyl-3-propyl-1H-quinolin-4-one
CID 826058
3-[[benzyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one
CID 1178704
ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate
CID 70807104
N-methyl-3-(2-methyl-4-oxo-1H-quinolin-3-yl)-N-[[(2R)-oxan-2-yl]methyl]propanamide
CID 124754627
3-cyclohexylsulfanyl-2-phenyl-1H-quinolin-4-one
CID 154707683
N-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethyl]-N-ethylcyclobutanamine
CID 59920943
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone
CID 114457307
2-cyclononyl-3-methyl-1H-indole
CID 173177369
cyclooctyl-(2-methyl-1H-indol-3-yl)methanone
CID 65018781
3-butyl-4-oxo-1H-quinoline-2-carbaldehyde
CID 174731856

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclohexyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one?
The IUPAC name of 3-[[cyclohexyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one (CID 728820) is 3-[[cyclohexyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-[[cyclohexyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-[[cyclohexyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one is CCN(Cc1c(C)[nH]c2ccccc2c1=O)C1CCCCC1.
What is the InChIKey of 3-[[cyclohexyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one?
The InChIKey is HHAXCRIFMNUZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-3-21(15-9-5-4-6-10-15)13-17-14(2)20-18-12-8-7-11-16(18)19(17)22/h7-8,11-12,15H,3-6,9-10,13H2,1-2H3,(H,20,22).
What are the key properties of 3-[[cyclohexyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one?
3-[[cyclohexyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one has a molecular weight of 298.43 g/mol, XLogP of 3.99, 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-methyl-1H-quinolin-4-one is sourced from PubChem (CID 728820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).