3-cyclooctyl-1-methylquinolin-2-one

C18H23NO — CID 166438845

IUPAC3-cyclooctyl-1-methylquinolin-2-one
SMILESCn1c(=O)c(C2CCCCCCC2)cc2ccccc21
InChIInChI=1S/C18H23NO/c1-19-17-12-8-7-11-15(17)13-16(18(19)20)14-9-5-3-2-4-6-10-14/h7-8,11-14H,2-6,9-10H2,1H3
InChIKeyOCIYJJLPJMBHNM-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.37
Rot. Bonds1

About 3-cyclooctyl-1-methylquinolin-2-one

3-cyclooctyl-1-methylquinolin-2-one (PubChem CID 166438845) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-cyclooctyl-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-cyclooctyl-1-methylquinolin-2-one
PubChem CID166438845
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-cyclooctyl-1-methylquinolin-2-one
SMILESCn1c(=O)c(C2CCCCCCC2)cc2ccccc21
InChIInChI=1S/C18H23NO/c1-19-17-12-8-7-11-15(17)13-16(18(19)20)14-9-5-3-2-4-6-10-14/h7-8,11-14H,2-6,9-10H2,1H3
InChIKeyOCIYJJLPJMBHNM-UHFFFAOYSA-N
XLogP4.37
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclooctyl-1-methylquinolin-2-one?
The IUPAC name of 3-cyclooctyl-1-methylquinolin-2-one (CID 166438845) is 3-cyclooctyl-1-methylquinolin-2-one.
What is the SMILES notation for 3-cyclooctyl-1-methylquinolin-2-one?
The canonical SMILES for 3-cyclooctyl-1-methylquinolin-2-one is Cn1c(=O)c(C2CCCCCCC2)cc2ccccc21.
What is the InChIKey of 3-cyclooctyl-1-methylquinolin-2-one?
The InChIKey is OCIYJJLPJMBHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-19-17-12-8-7-11-15(17)13-16(18(19)20)14-9-5-3-2-4-6-10-14/h7-8,11-14H,2-6,9-10H2,1H3.
What are the key properties of 3-cyclooctyl-1-methylquinolin-2-one?
3-cyclooctyl-1-methylquinolin-2-one has a molecular weight of 269.39 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclooctyl-1-methylquinolin-2-one is sourced from PubChem (CID 166438845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).