3-acetyl-1-cyclohexyl-4-hydroxyquinolin-2-one

C17H19NO3 — CID 54679413

IUPAC3-acetyl-1-cyclohexyl-4-hydroxyquinolin-2-one
SMILESCC(=O)c1c(O)c2ccccc2n(C2CCCCC2)c1=O
InChIInChI=1S/C17H19NO3/c1-11(19)15-16(20)13-9-5-6-10-14(13)18(17(15)21)12-7-3-2-4-8-12/h5-6,9-10,12,20H,2-4,7-8H2,1H3
InChIKeyUMYZCNLGEJKPSU-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.41
Rot. Bonds2

About 3-acetyl-1-cyclohexyl-4-hydroxyquinolin-2-one

3-acetyl-1-cyclohexyl-4-hydroxyquinolin-2-one (PubChem CID 54679413) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-acetyl-1-cyclohexyl-4-hydroxyquinolin-2-one.

Molecular Properties

Compound Name3-acetyl-1-cyclohexyl-4-hydroxyquinolin-2-one
PubChem CID54679413
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-acetyl-1-cyclohexyl-4-hydroxyquinolin-2-one
SMILESCC(=O)c1c(O)c2ccccc2n(C2CCCCC2)c1=O
InChIInChI=1S/C17H19NO3/c1-11(19)15-16(20)13-9-5-6-10-14(13)18(17(15)21)12-7-3-2-4-8-12/h5-6,9-10,12,20H,2-4,7-8H2,1H3
InChIKeyUMYZCNLGEJKPSU-UHFFFAOYSA-N
XLogP3.41
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-cyclohexyl-4-hydroxyquinolin-2-one?
The IUPAC name of 3-acetyl-1-cyclohexyl-4-hydroxyquinolin-2-one (CID 54679413) is 3-acetyl-1-cyclohexyl-4-hydroxyquinolin-2-one.
What is the SMILES notation for 3-acetyl-1-cyclohexyl-4-hydroxyquinolin-2-one?
The canonical SMILES for 3-acetyl-1-cyclohexyl-4-hydroxyquinolin-2-one is CC(=O)c1c(O)c2ccccc2n(C2CCCCC2)c1=O.
What is the InChIKey of 3-acetyl-1-cyclohexyl-4-hydroxyquinolin-2-one?
The InChIKey is UMYZCNLGEJKPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-11(19)15-16(20)13-9-5-6-10-14(13)18(17(15)21)12-7-3-2-4-8-12/h5-6,9-10,12,20H,2-4,7-8H2,1H3.
What are the key properties of 3-acetyl-1-cyclohexyl-4-hydroxyquinolin-2-one?
3-acetyl-1-cyclohexyl-4-hydroxyquinolin-2-one has a molecular weight of 285.34 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-cyclohexyl-4-hydroxyquinolin-2-one is sourced from PubChem (CID 54679413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).