5-acetyl-8-hydroxy-4aH-quinolin-2-one

C11H9NO3 — CID 73162598

IUPAC5-acetyl-8-hydroxy-4aH-quinolin-2-one
SMILESCC(=O)C1=CC=C(O)C2=NC(=O)C=CC12
InChIInChI=1S/C11H9NO3/c1-6(13)7-2-4-9(14)11-8(7)3-5-10(15)12-11/h2-5,8,14H,1H3
InChIKeyRZSIGORZYSHTQV-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.11
Rot. Bonds1

About 5-acetyl-8-hydroxy-4aH-quinolin-2-one

5-acetyl-8-hydroxy-4aH-quinolin-2-one (PubChem CID 73162598) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 5-acetyl-8-hydroxy-4aH-quinolin-2-one.

Molecular Properties

Compound Name5-acetyl-8-hydroxy-4aH-quinolin-2-one
PubChem CID73162598
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name5-acetyl-8-hydroxy-4aH-quinolin-2-one
SMILESCC(=O)C1=CC=C(O)C2=NC(=O)C=CC12
InChIInChI=1S/C11H9NO3/c1-6(13)7-2-4-9(14)11-8(7)3-5-10(15)12-11/h2-5,8,14H,1H3
InChIKeyRZSIGORZYSHTQV-UHFFFAOYSA-N
XLogP1.11
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-2-oxo-4aH-quinoline-4-carboxylic acid
CID 74518925
8-hydroxy-4-methyl-4aH-quinolin-2-one
CID 78173062
4-acetyl-4aH-quinolin-2-one
CID 78199584

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-8-hydroxy-4aH-quinolin-2-one?
The IUPAC name of 5-acetyl-8-hydroxy-4aH-quinolin-2-one (CID 73162598) is 5-acetyl-8-hydroxy-4aH-quinolin-2-one.
What is the SMILES notation for 5-acetyl-8-hydroxy-4aH-quinolin-2-one?
The canonical SMILES for 5-acetyl-8-hydroxy-4aH-quinolin-2-one is CC(=O)C1=CC=C(O)C2=NC(=O)C=CC12.
What is the InChIKey of 5-acetyl-8-hydroxy-4aH-quinolin-2-one?
The InChIKey is RZSIGORZYSHTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-6(13)7-2-4-9(14)11-8(7)3-5-10(15)12-11/h2-5,8,14H,1H3.
What are the key properties of 5-acetyl-8-hydroxy-4aH-quinolin-2-one?
5-acetyl-8-hydroxy-4aH-quinolin-2-one has a molecular weight of 203.20 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-8-hydroxy-4aH-quinolin-2-one is sourced from PubChem (CID 73162598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).