1-ethyl-3-(4-oxocyclohexyl)quinolin-2-one

C17H19NO2 — CID 116985579

IUPAC1-ethyl-3-(4-oxocyclohexyl)quinolin-2-one
SMILESCCn1c(=O)c(C2CCC(=O)CC2)cc2ccccc21
InChIInChI=1S/C17H19NO2/c1-2-18-16-6-4-3-5-13(16)11-15(17(18)20)12-7-9-14(19)10-8-12/h3-6,11-12H,2,7-10H2,1H3
InChIKeyQWMAULBVCUUYPG-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.25
Rot. Bonds2

About 1-ethyl-3-(4-oxocyclohexyl)quinolin-2-one

1-ethyl-3-(4-oxocyclohexyl)quinolin-2-one (PubChem CID 116985579) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-ethyl-3-(4-oxocyclohexyl)quinolin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(4-oxocyclohexyl)quinolin-2-one
PubChem CID116985579
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-ethyl-3-(4-oxocyclohexyl)quinolin-2-one
SMILESCCn1c(=O)c(C2CCC(=O)CC2)cc2ccccc21
InChIInChI=1S/C17H19NO2/c1-2-18-16-6-4-3-5-13(16)11-15(17(18)20)12-7-9-14(19)10-8-12/h3-6,11-12H,2,7-10H2,1H3
InChIKeyQWMAULBVCUUYPG-UHFFFAOYSA-N
XLogP3.25
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(4-oxocyclohexyl)quinolin-2-one
CID 116985109
ethane;1-ethyl-3-methylquinolin-2-one
CID 142177817
3-(chloromethyl)-1-ethylquinolin-2-one
CID 18801760
3-bromo-1-ethylquinolin-2-one
CID 116985609
3-(4-hydroxycyclohexyl)-1-methylquinolin-2-one
CID 116985108
3-cyclooctyl-1-methylquinolin-2-one
CID 166438845
3-[(cyclohexylamino)methyl]-1-ethylquinolin-2-one
CID 18801770
3-(2-aminoethyl)-1-ethylquinolin-2-one
CID 102537317
2-bromo-1-ethylindole
CID 20753566
1-ethyl-3-(3-oxobutyl)quinolin-2-one
CID 116985576
3-(3-aminobutyl)-1-ethylquinolin-2-one
CID 116985538
3-(4-aminobutan-2-yl)-1-ethylquinolin-2-one
CID 116985536

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-oxocyclohexyl)quinolin-2-one?
The IUPAC name of 1-ethyl-3-(4-oxocyclohexyl)quinolin-2-one (CID 116985579) is 1-ethyl-3-(4-oxocyclohexyl)quinolin-2-one.
What is the SMILES notation for 1-ethyl-3-(4-oxocyclohexyl)quinolin-2-one?
The canonical SMILES for 1-ethyl-3-(4-oxocyclohexyl)quinolin-2-one is CCn1c(=O)c(C2CCC(=O)CC2)cc2ccccc21.
What is the InChIKey of 1-ethyl-3-(4-oxocyclohexyl)quinolin-2-one?
The InChIKey is QWMAULBVCUUYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-18-16-6-4-3-5-13(16)11-15(17(18)20)12-7-9-14(19)10-8-12/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of 1-ethyl-3-(4-oxocyclohexyl)quinolin-2-one?
1-ethyl-3-(4-oxocyclohexyl)quinolin-2-one has a molecular weight of 269.34 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-oxocyclohexyl)quinolin-2-one is sourced from PubChem (CID 116985579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).